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1,4-Bis(5-phenyloxazol-2-yl)benzene 2,2'-(1,4-phenylene)bis(5-phenyl-1,3-oxazole)
1,4-Bis(5-phenyloxazol-2-yl)benzene
2,2'-(1,4-phenylene)bis(5-phenyl-1,3-oxazole) ID: BBC/445
CAS:1806-34-4
Supplier:Aronis

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SMILES:c1(ncc(o1)c1ccccc1)c1ccc(c2ncc(o2)c2ccccc2)cc1	
FORMULA: C24H16N2O2
MASS: 364.3960
EXACT MASS: 364.1211778
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    5.3377     0.0000 
   N   3    1.3301     6.2528     0.0000 
   N   4    6.1565     1.3188     6.8845     0.0000 
   O   5    6.2528     1.3301     7.2967     2.1497     0.0000 
   O   6    1.3330     6.1597     2.1664     7.1323     6.8848     0.0000 
   C   7    7.4335     2.1507     8.3954     2.1548     1.3324     8.1493 
   C   8    2.1510     7.3856     2.1638     8.2797     8.1772     1.3351 
   C   9    7.3851     2.1495     8.1773     1.3320     2.1603     8.2827 
   C  10    2.1507     7.4335     1.3324     8.1481     8.3954     2.1677 
   C  11    1.3375     4.0003     2.4080     4.8497     4.9364     2.3367 
   C  12    4.0003     1.3375     4.9364     2.3287     2.4080     4.8537 
   C  13    3.4285     8.5213     3.4406     9.4827     9.2144     2.3619 
   C  14    8.6308     3.4462     9.6473     3.4454     2.3815     9.2544 
   C  15    2.3195     3.5295     3.5910     4.6435     4.1615     2.7251 
   C  16    3.5392     2.3074     4.7166     3.5351     2.8246     4.0625 
   C  17    2.3133     3.5180     2.8404     4.0458     4.6942     3.5478 
   C  18    3.5225     2.3093     4.1607     2.7250     3.5784     4.6414 
   C  19    4.4141     9.6721     4.0649    10.5631    10.4348     3.5502 
   C  20    4.0609     8.6749     4.4292     9.7555     9.1925     2.7685 
   C  21    8.8495     4.0674     9.9760     4.4250     2.7770     9.2942 
   C  22    9.7225     4.4142    10.6668     4.0590     3.5504    10.4262 
   C  23    5.3711     9.9250     5.6586    11.0331    10.3783     4.0851 
   C  24   10.1300     5.3892    11.2777     5.6672     4.1048    10.5178 
   C  25   10.9100     5.6572    11.9001     5.3799     4.6685    11.5427 
   C  26    5.6531    10.8210     5.3855    11.7663    11.5075     4.6613 
   C  27    6.0454    10.9275     6.0551    11.9727    11.4747     4.8672 
   C  28   11.1033     6.0729    12.1883     6.0713     4.8974    11.5932 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    9.4212     0.0000 
   C   9    1.3398     9.4786     0.0000 
   C  10    9.5538     1.3440     9.4211     0.0000 
   C  11    6.0997     3.4301     6.0582     3.4607     0.0000 
   C  12    3.4607     6.0588     3.4291     6.0997     2.6630     0.0000 
   C  13   10.4943     1.3172    10.6440     2.3723     4.6490     7.2148 
   C  14    1.3329    10.5540     2.3760    10.7695     7.3089     4.7167 
   C  15    5.4385     4.0323     5.6784     4.4331     1.3320     2.3159 
   C  16    4.1109     5.3648     4.4424     5.6870     2.3113     1.3445 
   C  17    5.6661     4.4518     5.3474     4.1249     1.3380     2.2886 
   C  18    4.4252     5.6726     4.0309     5.4360     2.3052     1.3141 
   C  19   11.6938     2.2885    11.7670     2.7715     5.7153     8.3468 
   C  20   10.5105     2.2891    10.8239     3.5588     5.0786     7.4332 
   C  21    2.2942    10.6229     3.5589    10.9994     7.5777     5.1708 
   C  22    2.2895    11.7058     2.7669    11.8390     8.3879     5.7406 
   C  23   11.7050     3.4951    12.0741     4.6625     6.3921     8.7061 
   C  24    3.5127    11.8512     4.6751    12.2765     8.8740     6.4971 
   C  25    3.5071    12.8430     4.0932    13.0432     9.5833     6.9638 
   C  26   12.7924     3.5025    12.9399     4.0983     6.9203     9.5111 
   C  27   12.7904     3.9613    13.0734     4.8739     7.2026     9.6633 
   C  28    3.9870    12.9188     4.8909    13.2537     9.8089     7.2971 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14   11.5702     0.0000 
   C  15    5.0566     6.5294     0.0000 
   C  16    6.3905     5.1922     1.3376     0.0000 
   C  17    5.7412     6.9619     2.3084     2.6619     0.0000 
   C  18    6.9302     5.7429     2.6621     2.3044     1.3209     0.0000 
   C  19    1.3264    12.8042     6.2750     7.6126     6.6762     7.9314 
   C  20    1.3206    11.4844     5.1455     6.4212     6.3163     7.3786 
   C  21   11.5314     1.3267     6.6098     5.3139     7.4592     6.3530 
   C  22   12.7628     1.3104     7.7071     6.3724     7.9023     6.6245 
   C  23    2.2915    12.6302     6.4023     7.6473     7.6329     8.6894 
   C  24   12.7132     2.3014     7.8640     6.5909     8.7851     7.6797 
   C  25   13.8541     2.2890     8.8178     7.4809     9.1679     7.9071 
   C  26    2.3009    13.8559     7.3540     8.6855     7.9441     9.1752 
   C  27    2.6440    13.7688     7.4009     8.6932     8.3565     9.5049 
   C  28   13.8404     2.6541     8.8954     7.5831     9.5706     8.3799 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.2887     0.0000 
   C  21   12.8110    11.2946     0.0000 
   C  22   13.9740    12.7290     2.2923     0.0000 
   C  23    2.6489     1.3167    12.3625    13.8936     0.0000 
   C  24   14.0077    12.4043     1.3279     2.6649    13.4224     0.0000 
   C  25   15.0922    13.7400     2.6615     1.3263    14.8630     2.3257 
   C  26    1.3269     2.6491    13.7770    15.0573     2.3026    14.9323 
   C  27    2.2877     2.2845    13.5636    15.0130     1.3280    14.6543 
   C  28   15.1171    13.5992     2.3103     2.3040    14.6532     1.3512 

              C  25      C  26      C  27      C  28
              --------------------------------------------
   C  25    0.0000 
   C  26   16.1364     0.0000 
   C  27   16.0227     1.3235     0.0000 
   C  28    1.3383    16.0873    15.8644     0.0000 



ATOMIC CHARGES
   C   1    0.2297010571
   C   2    0.2297010571
   N   3   -0.2066067171
   N   4   -0.2066067171
   O   5   -0.4345307947
   O   6   -0.4345307947
   C   7    0.1662271679
   C   8    0.1662271679
   C   9    0.1394646394
   C  10    0.1394646394
   C  11    0.0535757996
   C  12    0.0535757996
   C  13    0.0361941918
   C  14    0.0361941918
   C  15    0.0048022309
   C  16    0.0048022309
   C  17    0.0048022309
   C  18    0.0048022309
   C  19    0.0030834145
   C  20    0.0030834145
   C  21    0.0030834145
   C  22    0.0030834145
   C  23    0.0001004150
   C  24    0.0001004150
   C  25    0.0001004150
   C  26    0.0001004150
   C  27    0.0000025352
   C  28    0.0000025352


BOND ANGLES
   3    1    6  Nar  Car   O2    108.877
   3    1   11  Nar  Car  Car    129.025
   6    1   11   O2  Car  Car    122.098
   4    2   12  Nar  Car  Car    122.484
   5    2   12   O2  Car  Car    129.025
   4    2    5  Nar  Car   O2    108.491
   1    3   10  Car  Nar  Car    107.758
   2    4    9  Car  Nar  Car    108.361
   2    5    7  Car   O2  Car    107.758
   1    6    8  Car   O2  Car    107.455
   5    7   14   O2  Car  Car    126.632
   5    7    9   O2  Car  Car    107.878
   9    7   14  Car  Car  Car    125.489
   6    8   13   O2  Car  Car    125.877
   6    8   10   O2  Car  Car    108.021
  10    8   13  Car  Car  Car    126.102
   4    9    7  Nar  Car  Car    107.512
   3   10    8  Nar  Car  Car    107.889
   1   11   15  Car  Car  Car    120.658
   1   11   17  Car  Car  Car    119.678
  15   11   17  Car  Car  Car    119.663
   2   12   18  Car  Car  Car    121.121
   2   12   16  Car  Car  Car    118.708
  16   12   18  Car  Car  Car    120.171
   8   13   19  Car  Car  Car    119.920
   8   13   20  Car  Car  Car    120.400
  19   13   20  Car  Car  Car    119.680
   7   14   21  Car  Car  Car    119.223
   7   14   22  Car  Car  Car    120.032
  21   14   22  Car  Car  Car    120.745
  11   15   16  Car  Car  Car    119.947
  12   16   15  Car  Car  Car    119.419
  11   17   18  Car  Car  Car    120.221
  12   18   17  Car  Car  Car    120.579
  13   19   26  Car  Car  Car    120.263
  13   20   23  Car  Car  Car    120.658
  14   21   24  Car  Car  Car    120.214
  14   22   25  Car  Car  Car    120.486
  20   23   27  Car  Car  Car    119.498
  21   24   28  Car  Car  Car    119.160
  22   25   28  Car  Car  Car    119.686
  19   26   27  Car  Car  Car    119.348
  23   27   26  Car  Car  Car    120.553
  24   28   25  Car  Car  Car    119.710


TORSION ANGLES
   4    2   12   18      0.026
   4    2   12   16    179.974
   5    2   12   18    179.974
   5    2   12   16      0.026
  10    3    1    6      0.026
  10    3    1   11    179.974
   9    4    2   12    179.974
   9    4    2    5      0.026
   7    5    2   12    179.974
   7    5    2    4      0.026
   8    6    1    3      0.026
   8    6    1   11    179.974
  14    7    5    2    179.974
   9    7    5    2      0.026
  13    8    6    1    179.974
  10    8    6    1      0.026
   7    9    4    2      0.026
   8   10    3    1      0.026
  15   11    1    3    179.974
  15   11    1    6      0.026
  17   11    1    3      0.026
  17   11    1    6    179.974
   2   12   18   17    179.974
  16   12   18   17      0.026
  19   13    8    6    179.974
  19   13    8   10      0.026
  20   13    8    6      0.026
  20   13    8   10    179.974
  21   14    7    5      0.026
  21   14    7    9    179.974
  22   14    7    5    179.974
  22   14    7    9      0.026
  16   15   11    1    179.974
  16   15   11   17      0.026
  12   16   15   11      0.026
  18   17   11    1    179.974
  18   17   11   15      0.026
  12   18   17   11      0.026
  26   19   13    8    179.974
  26   19   13   20      0.026
  23   20   13    8    179.974
  23   20   13   19      0.026
  24   21   14    7    179.974
  24   21   14   22      0.026
  25   22   14    7    179.974
  25   22   14   21      0.026
  27   23   20   13      0.026
  28   24   21   14      0.026
  28   25   22   14      0.026
  27   26   19   13      0.026
  26   27   23   20      0.026
  24   28   25   22      0.026
   3   10    8    6      0.026
   3   10    8   13    179.974
  15   16   12    2    179.974
  15   16   12   18      0.026
  23   27   26   19      0.026
   4    9    7    5      0.026
   4    9    7   14    179.974
  25   28   24   21      0.026