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(1R,2R)-(-)-1,2-cyclohexanediamino-N,N'-bis-(3,5-di-t-butylsalicylidene)cobalt (II)
(1R,2R)-(-)-1,2-cyclohexanediamino-N,N'-bis-(3,5-di-t-butylsalicylidene)cobalt (II)
ID: BP-12160
CAS:176763-62-5
Supplier:BroadPharm

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SMILES:[Co]123[N](=Cc4c(O2)c(C(C)(C)C)cc(c4)C(C)(C)C)[C@H]2[C@H]([N]1=Cc1c(O3)c(C(C)(C)C)cc(c1)C(C)(C)C)CCCC2	
FORMULA: C36H52CoN2O2
MASS: 603.7435
EXACT MASS: 603.3360739
INTERATOMIC DISTANCES

             Co   1      N   2      N   3      O   4      O   5      C   6
              ------------------------------------------------------------------
  Co   1    0.0000 
   N   2    1.2620     0.0000 
   N   3    1.2876     1.9444     0.0000 
   O   4    1.2805     1.6854     2.5676     0.0000 
   O   5    1.3087     2.5707     1.6842     1.9347     0.0000 
   C   6    1.7358     0.9733     1.6891     2.5750     2.9208     0.0000 
   C   7    2.0962     0.9716     2.9160     1.9497     3.3658     1.6814 
   C   8    1.7443     1.6876     0.9735     2.9180     2.5745     0.9788 
   C   9    2.1278     2.9172     0.9728     3.3623     1.9456     2.5779 
   C  10    2.1046     1.9418     3.3623     0.9728     2.9075     2.9151 
   C  11    2.1401     3.3668     1.9444     2.9075     0.9728     3.5101 
   C  12    2.6803     1.6783     2.5714     3.3637     3.8850     0.9642 
   C  13    2.4152     1.6878     3.5080     1.6897     3.5033     2.5760 
   C  14    2.6891     2.5658     1.6771     3.8792     3.3613     1.6800 
   C  15    2.4503     3.5089     1.6881     3.5004     1.6868     3.3772 
   C  16    2.9468     2.9151     4.2317     1.6825     3.4936     3.8884 
   C  17    2.9816     4.2388     2.9186     3.4977     1.6864     4.4620 
   C  18    3.3813     2.5695     2.9162     4.2359     4.4537     1.6782 
   C  19    3.3844     2.5722     4.4545     2.5767     4.4506     3.3671 
   C  20    3.3857     2.9160     2.5688     4.4528     4.2346     1.9428 
   C  21    3.4194     4.4557     2.5733     4.4472     2.5729     4.2442 
   C  22    3.1796     3.4993     4.4426     1.9369     3.3497     4.4504 
   C  23    3.7873     3.5052     5.0500     2.5760     4.4495     4.4554 
   C  24    3.2094     4.4527     3.5043     3.3573     1.9434     4.8642 
   C  25    3.8219     5.0544     3.5085     4.4494     2.5765     5.1528 
   C  26    3.9684     3.3723     5.1475     2.9245     4.8592     4.2419 
   C  27    4.0018     5.1461     3.3679     4.8580     2.9233     5.0570 
   C  28    4.1493     4.4523     5.4036     2.9125     4.2223     5.4113 
   C  29    2.7103     3.3674     3.8797     1.6819     2.5569     4.2384 
   C  30    3.6723     4.2326     4.8533     2.5665     3.4949     5.1415 
   C  31    2.7268     3.8861     3.3673     2.5619     1.6831     4.4579 
   C  32    4.1786     5.4142     4.4574     4.2312     2.9192     5.8400 
   C  33    3.6862     4.8535     4.2341     3.4899     2.5679     5.4116 
   C  34    4.9222     4.2417     6.0745     3.8973     5.8320     5.0547 
   C  35    4.9567     6.0743     4.2396     5.8308     3.8961     5.9204 
   C  36    5.3300     4.4559     6.3756     4.4613     6.3718     5.1434 
   C  37    5.5958     5.0547     6.8068     4.4615     6.3715     5.9164 
   C  38    5.8870     5.1529     7.0187     4.8750     6.8097     5.9205 
   C  39    5.6311     6.8086     5.0537     6.3727     4.4620     6.7428 
   C  40    5.3650     6.3748     4.4543     6.3704     4.4605     6.0743 
   C  41    5.9139     7.0111     5.1443     6.8000     4.8653     6.8100 
   H  42    2.2262     0.9911     2.6019     2.5851     3.5278     0.9982 
   H  43    2.2456     2.5990     0.9882     3.5220     2.5806     1.9759 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5749     0.0000 
   C   9    3.8888     1.6839     0.0000 
   C  10    1.6854     3.5052     4.2321     0.0000 
   C  11    4.2363     2.9178     1.6842     3.8803     0.0000 
   C  12    1.9369     1.6852     3.3691     3.4979     4.4530     0.0000 
   C  13    0.9783     3.3754     4.4580     0.9726     4.4541     2.9151 
   C  14    3.3614     0.9612     1.9406     4.4446     3.4999     1.9456 
   C  15    4.4582     2.5766     0.9758     4.4508     0.9723     4.2418 
   C  16    2.5753     4.4554     5.0448     0.9733     4.4436     4.4493 
   C  17    5.0522     3.8920     2.5740     4.4481     0.9742     5.4126 
   C  18    2.9125     1.9428     3.5067     4.4508     4.8606     0.9756 
   C  19    1.6857     4.2417     5.4126     1.6866     5.4092     3.5009 
   C  20    3.5050     1.6782     2.9132     4.8578     4.4517     1.6918 
   C  21    5.4129     3.3688     1.6849     5.4055     1.6836     5.0540 
   C  22    3.3674     4.8550     5.1302     1.6819     4.2190     5.1338 
   C  23    2.9186     5.1476     5.9118     1.6876     5.4076     4.8555 
   C  24    5.1415     4.4559     3.3673     4.2275     1.6831     5.8284 
   C  25    5.9159     4.4590     2.9192     5.4078     1.6876     6.0734 
   C  26    2.5788     5.0599     6.0745     1.9517     5.8320     4.4550 
   C  27    6.0732     4.2364     2.5698     5.8308     1.9505     5.9129 
   C  28    4.2398     5.8305     6.0599     2.5726     5.0348     6.0640 
   C  29    3.5101     4.4527     4.4434     1.9484     3.3507     5.0457 
   C  30    4.2350     5.4098     5.4046     2.5674     4.2269     5.9029 
   C  31    4.4519     4.2393     3.5057     3.3573     1.9446     5.4070 
   C  32    6.0722     5.4169     4.2398     5.0453     2.5742     6.8041 
   C  33    5.4044     5.1424     4.2360     4.2216     2.5706     6.3651 
   C  34    3.3733     5.9215     7.0139     2.9245     6.8048     5.1437 
   C  35    7.0134     5.0518     3.3679     6.8036     2.9233     6.7370 
   C  36    3.5071     6.0760     7.3408     3.5104     7.3374     5.0483 
   C  37    4.2429     6.7424     7.7179     3.5116     7.3366     6.0704 
   C  38    4.2473     6.8176     7.9661     3.9022     7.7825     5.9167 
   C  39    7.7198     5.9145     4.2379     7.3383     3.5110     7.5946 
   C  40    7.3393     5.1405     3.5032     7.3355     3.5107     6.8040 
   C  41    7.9580     5.9117     4.2363     7.7728     3.8925     7.5930 
   H  42    0.9604     1.9770     3.5361     2.5705     4.2635     0.9772 
   H  43    3.5319     0.9971     0.9616     4.2563     2.5700     2.5992 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.2359     0.0000 
   C  15    4.8653     2.9164     0.0000 
   C  16    1.6832     5.4027     5.1372     0.0000 
   C  17    5.1443     4.4519     1.6831     4.8495     0.0000 
   C  18    3.8907     1.6866     4.4600     5.4102     5.8348     0.0000 
   C  19    0.9692     5.0470     5.8345     1.9489     6.0687     4.4541 
   C  20    4.4604     0.9726     3.8890     5.8311     5.4113     0.9788 
   C  21    5.8344     3.5050     0.9691     6.0609     1.9434     5.1477 
   C  22    2.5697     5.8161     5.0364     0.9710     4.4362     6.0633 
   C  23    1.9404     6.0644     6.0702     0.9788     5.8283     5.8311 
   C  24    5.0470     5.1376     2.5702     4.4399     0.9716     6.3729 
   C  25    6.0734     4.8598     1.9434     5.8236     0.9741     6.3786 
   C  26    1.6845     5.9127     6.3791     1.6918     6.3742     5.4161 
   C  27    6.3793     4.4489     1.6798     6.3704     1.6935     6.0700 
   C  28    3.3663     6.7917     5.9001     1.6831     5.1257     7.0059 
   C  29    2.9211     5.3991     4.2238     1.6871     3.4871     5.9094 
   C  30    3.4988     6.3609     5.1355     1.9354     4.2270     6.7975 
   C  31    4.2318     5.0444     2.9169     3.4893     1.6856     6.0684 
   C  32    5.9121     6.0679     3.3673     5.1321     1.6842     7.3412 
   C  33    5.1323     5.9038     3.5034     4.2152     1.9450     7.0041 
   C  34    2.5726     6.7347     7.3443     2.5824     7.3398     6.0738 
   C  35    7.3450     5.1412     2.5709     7.3355     2.5808     6.8060 
   C  36    2.9148     6.8024     7.7801     3.3761     7.9561     5.9131 
   C  37    3.3670     7.5910     7.9594     2.9245     7.7740     7.0131 
   C  38    3.5107     7.5968     8.3162     3.5216     8.3119     6.8112 
   C  39    7.9626     6.0684     3.3656     7.7728     2.9233     7.7178 
   C  40    7.7801     5.0463     2.9148     7.9514     3.3759     6.7328 
   C  41    8.3088     5.9100     3.5022     8.2989     3.5101     7.5926 
   H  42    1.9385     2.5946     4.2709     3.5025     5.1710     1.9526 
   H  43    4.2673     0.9798     1.9372     5.1615     3.5024     2.5924 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.1472     0.0000 
   C  21    6.8036     4.4536     0.0000 
   C  22    2.9199     6.3662     5.8951     0.0000 
   C  23    1.6831     6.3757     7.0063     1.6933     0.0000 
   C  24    5.9068     6.0670     2.9150     3.8670     5.4044     0.0000 
   C  25    7.0100     5.8324     1.6831     5.3958     6.8024     1.6868 
   C  26    0.9763     6.0781     7.3406     2.5801     0.9708     6.0658 
   C  27    7.3414     5.4054     0.9645     6.0603     7.3415     2.5835 
   C  28    3.5094     7.3345     6.7183     0.9755     1.9519     4.4329 
   C  29    3.5126     6.0650     5.0342     0.9716     2.5832     2.8954 
   C  30    3.8843     7.0027     5.9022     0.9645     2.5698     3.4927 
   C  31    5.0439     5.9098     3.5050     2.8942     4.4458     0.9728 
   C  32    6.7319     7.0093     3.5047     4.4367     6.0654     0.9758 
   C  33    5.8995     6.7982     3.8884     3.4772     5.1282     0.9734 
   C  34    1.6876     6.8121     8.3077     3.3799     1.6866     7.0061 
   C  35    8.3088     6.0656     1.6830     6.9996     8.3084     3.3791 
   C  36    1.9456     6.7400     8.7492     4.2476     2.5737     7.7107 
   C  37    2.5754     7.7226     8.9086     3.5170     1.9457     7.3319 
   C  38    2.5806     7.6040     9.2808     4.2570     2.5814     7.9589 
   C  39    8.9127     7.0057     2.5701     7.3288     8.7516     3.5165 
   C  40    8.7493     5.9040     1.9458     7.7038     8.9100     4.2480 
   C  41    9.2737     6.7985     2.5710     7.9434     9.2730     4.2458 
   H  42    2.5543     2.5932     5.1752     4.2356     3.8788     5.4327 
   H  43    5.1712     1.9521     2.5555     5.4200     5.9363     4.2367 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    7.3411     0.0000 
   C  27    0.9832     7.7825     0.0000 
   C  28    6.0540     2.9227     6.7956     0.0000 
   C  29    4.4387     3.3789     5.1346     1.6841     0.0000 
   C  30    5.1356     3.5022     5.9119     0.9607     0.9737     0.0000 
   C  31    2.5764     5.1377     3.3791     3.4831     1.9226     2.5592 
   C  32    1.9456     6.8023     2.9288     4.8398     3.4877     3.8791 
   C  33    2.5775     5.8998     3.5195     3.8586     2.5451     2.8979 
   C  34    8.3083     0.9728     8.7553     3.5168     4.2514     4.2380 
   C  35    1.6924     8.7553     0.9728     7.7065     6.0614     6.8037 
   C  36    8.9107     1.6843     9.2771     4.4660     5.0632     5.1435 
   C  37    8.7481     1.6825     9.2774     3.3784     4.4671     4.2363 
   C  38    9.2816     1.9505     9.7330     4.2567     5.1645     5.0587 
   C  39    1.9492     9.2793     1.6858     7.9468     6.3648     7.0093 
   C  40    2.5811     9.2774     1.6824     8.4642     6.7940     7.5897 
   C  41    2.5762     9.7245     1.9420     8.6274     6.9973     7.7117 
   H  42    5.9436     3.4939     5.9434     5.1430     4.2471     5.0518 
   H  43    3.8806     5.9434     3.4856     6.3848     4.8677     5.8413 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.6880     0.0000 
   C  33    0.9674     0.9812     0.0000 
   C  34    6.0658     7.7145     6.7927     0.0000 
   C  35    4.2491     3.5172     4.2531     9.7281     0.0000 
   C  36    6.7985     8.4723     7.5795     0.9729    10.2464     0.0000 
   C  37    6.3663     7.9515     6.9941     0.9733    10.2464     1.6891 
   C  38    7.0108     8.6446     7.7096     0.9777    10.7058     0.9766 
   C  39    4.4666     3.3792     4.2547    10.2487     0.9732    10.8296 
   C  40    5.0615     4.4671     5.1585    10.2464     0.9732    10.6949 
   C  41    5.1525     4.2463     5.0647    10.6973     0.9692    11.2127 
   H  42    4.8770     6.3981     5.8443     4.2216     6.8369     4.2139 
   H  43    4.2433     5.1442     5.0517     6.8356     4.2169     7.0390 

              C  37      C  38      C  39      C  40      C  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    0.9806     0.0000 
   C  39   10.6973    11.2235     0.0000 
   C  40   10.8275    11.2209     1.6879     0.0000 
   C  41   11.2124    11.6750     0.9702     0.9762     0.0000 
   H  42    5.1297     5.0370     7.6244     7.0393     7.7462     0.0000 
   H  43    7.6211     7.7518     5.1255     4.2102     5.0276     2.9741 

              H  43
              -----------
   H  43    0.0000 



ATOMIC CHARGES
  Co   1    0.0000000000
   N   2    0.0000000000
   N   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   C  22    0.0000000000
   C  23    0.0000000000
   C  24    0.0000000000
   C  25    0.0000000000
   C  26    0.0000000000
   C  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
   C  33    0.0000000000
   C  34    0.0000000000
   C  35    0.0000000000
   C  36    0.0000000000
   C  37    0.0000000000
   C  38    0.0000000000
   C  39    0.0000000000
   C  40    0.0000000000
   C  41    0.0000000000
   H  42    0.0000000000
   H  43    0.0000000000


BOND ANGLES
   2    1    3   N2   Co   N2     99.390
   2    1    4   N2   Co   O3     83.040
   2    1    5   N2   Co   O3    179.730
   3    1    4   N2   Co   O3    177.571
   3    1    5   N2   Co   O3     80.880
   4    1    5   O3   Co   O3     96.691
   1    2    6   Co   N2   C3    101.101
   1    2    7   Co   N2   C2    139.242
   6    2    7   C3   N2   C2    119.657
   1    3    8   Co   N2   C3    100.037
   1    3    9   Co   N2   C2    140.148
   8    3    9   C3   N2   C2    119.815
   1    4   10   Co   O3  Car    137.719
   1    5   11   Co   O3  Car    138.972
   2    6    8   N2   C3   C3    119.657
   2    6   12   N2   C3   C3    120.047
   2    6   42   N2   C3   HC     60.343
   8    6   12   C3   C3   C3    120.296
   8    6   42   C3   C3   HC    179.974
  12    6   42   C3   C3   HC     59.704
   2    7   13   N2   C2  Car    119.896
   3    8    6   N2   C3   C3    119.815
   3    8   14   N2   C3   C3    120.198
   3    8   43   N2   C3   HC     60.185
   6    8   14   C3   C3   C3    119.987
   6    8   43   C3   C3   HC    179.974
  14    8   43   C3   C3   HC     60.013
   3    9   15   N2   C2  Car    120.068
   4   10   13   O3  Car  Car    120.586
   4   10   16   O3  Car  Car    119.657
  13   10   16  Car  Car  Car    119.757
   5   11   15   O3  Car  Car    120.270
   5   11   17   O3  Car  Car    120.034
  15   11   17  Car  Car  Car    119.696
   6   12   18   C3   C3   C3    119.799
   7   13   10   C2  Car  Car    119.518
   7   13   19   C2  Car  Car    119.896
  10   13   19  Car  Car  Car    120.586
   8   14   20   C3   C3   C3    120.414
   9   15   11   C2  Car  Car    119.662
   9   15   21   C2  Car  Car    120.068
  11   15   21  Car  Car  Car    120.270
  10   16   22  Car  Car   C3    119.782
  10   16   23  Car  Car  Car    119.657
  22   16   23   C3  Car  Car    120.561
  11   17   24  Car  Car   C3    119.762
  11   17   25  Car  Car  Car    120.034
  24   17   25   C3  Car  Car    120.204
  12   18   20   C3   C3   C3    119.905
  13   19   26  Car  Car  Car    119.963
  14   20   18   C3   C3   C3    119.599
  15   21   27  Car  Car  Car    120.622
  16   22   28  Car   C3   C3    119.694
  16   22   29  Car   C3   C3    120.561
  16   22   30  Car   C3   C3    179.058
  28   22   29   C3   C3   C3    119.745
  28   22   30   C3   C3   C3     59.364
  29   22   30   C3   C3   C3     60.381
  16   23   26  Car  Car  Car    120.403
  17   24   31  Car   C3   C3    120.204
  17   24   32  Car   C3   C3    119.733
  17   24   33  Car   C3   C3    179.817
  31   24   32   C3   C3   C3    120.062
  31   24   33   C3   C3   C3     59.613
  32   24   33   C3   C3   C3     60.450
  17   25   27  Car  Car  Car    119.811
  19   26   23  Car  Car  Car    119.634
  19   26   34  Car  Car   C3    119.963
  23   26   34  Car  Car   C3    120.403
  21   27   25  Car  Car  Car    119.566
  21   27   35  Car  Car   C3    120.622
  25   27   35  Car  Car   C3    119.811
  26   34   36  Car   C3   C3    119.914
  26   34   37  Car   C3   C3    119.657
  26   34   38  Car   C3   C3    179.974
  36   34   37   C3   C3   C3    120.428
  36   34   38   C3   C3   C3     60.086
  37   34   38   C3   C3   C3     60.343
  27   35   39  Car   C3   C3    120.069
  27   35   40  Car   C3   C3    119.660
  27   35   41  Car   C3   C3    179.974
  39   35   40   C3   C3   C3    120.271
  39   35   41   C3   C3   C3     59.931
  40   35   41   C3   C3   C3     60.340


TORSION ANGLES
   3    1    2    6      0.026
   3    1    2    7    179.974
   4    1    2    6    179.974
   4    1    2    7      0.026
   5    1    2    6    179.974
   5    1    2    7      0.026
   2    1    3    8      0.026
   2    1    3    9    179.974
   4    1    3    8    179.974
   4    1    3    9      0.026
   5    1    3    8    179.974
   5    1    3    9      0.026
   2    1    4   10      0.026
   3    1    4   10    179.974
   5    1    4   10    179.974
   2    1    5   11    179.974
   3    1    5   11      0.026
   4    1    5   11    179.974
   1    2    6    8      0.026
   1    2    6   12    179.974
   1    2    6   42    179.974
   7    2    6    8    179.974
   7    2    6   12      0.026
   7    2    6   42      0.026
   1    2    7   13      0.026
   6    2    7   13    179.974
   1    3    8    6      0.026
   1    3    8   14    179.974
   1    3    8   43    179.974
   9    3    8    6    179.974
   9    3    8   14      0.026
   9    3    8   43      0.026
   1    3    9   15      0.026
   8    3    9   15    179.974
   1    4   10   13      0.026
   1    4   10   16    179.974
   1    5   11   15      0.026
   1    5   11   17    179.974
   2    6    8    3      0.026
   2    6    8   14    179.974
   2    6    8   43    180.000
  12    6    8    3    179.974
  12    6    8   14      0.026
  12    6    8   43    180.000
  42    6    8    3    180.000
  42    6    8   14    180.000
  42    6    8   43    180.000
   2    6   12   18    179.974
   8    6   12   18      0.026
  42    6   12   18    179.974
   2    7   13   10      0.026
   2    7   13   19    179.974
   3    8   14   20    179.974
   6    8   14   20      0.026
  43    8   14   20    179.974
   3    9   15   11      0.026
   3    9   15   21    179.974
   4   10   13    7      0.026
   4   10   13   19    179.974
  16   10   13    7    179.974
  16   10   13   19      0.026
   4   10   16   22      0.026
   4   10   16   23    179.974
  13   10   16   22    179.974
  13   10   16   23      0.026
   5   11   15    9      0.026
   5   11   15   21    179.974
  17   11   15    9    179.974
  17   11   15   21      0.026
   5   11   17   24      0.026
   5   11   17   25    179.974
  15   11   17   24    179.974
  15   11   17   25      0.026
   6   12   18   20      0.026
   7   13   19   26    179.974
  10   13   19   26      0.026
   8   14   20   18      0.026
   9   15   21   27    179.974
  11   15   21   27      0.026
  10   16   22   28    179.974
  10   16   22   29      0.026
  10   16   22   30    179.974
  23   16   22   28      0.026
  23   16   22   29    179.974
  23   16   22   30      0.026
  10   16   23   26      0.026
  22   16   23   26    179.974
  11   17   24   31      0.026
  11   17   24   32    179.974
  11   17   24   33      0.026
  25   17   24   31    179.974
  25   17   24   32      0.026
  25   17   24   33    179.974
  11   17   25   27      0.026
  24   17   25   27    179.974
  12   18   20   14      0.026
  13   19   26   23      0.026
  13   19   26   34    179.974
  15   21   27   25      0.026
  15   21   27   35    179.974
  16   23   26   19      0.026
  16   23   26   34    179.974
  17   25   27   21      0.026
  17   25   27   35    179.974
  19   26   34   36      0.026
  19   26   34   37    179.974
  19   26   34   38    180.000
  23   26   34   36    179.974
  23   26   34   37      0.026
  23   26   34   38    180.000
  21   27   35   39    179.974
  21   27   35   40      0.026
  21   27   35   41    180.000
  25   27   35   39      0.026
  25   27   35   40    179.974
  25   27   35   41    180.000


CHIRAL ATOMS
  25   27   35   41    180.000
  25   27   35   41    180.000
  25   27   35   41    180.000