Information card for entry 2207334
Common name |
An analogue of Iminostilbene or Carbamazepine |
Chemical name |
5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine |
Formula |
C15 H12 Cl N O |
Calculated formula |
C15 H12 Cl N O |
SMILES |
c1cccc2N(c3ccccc3CCc12)C(=O)Cl |
Title of publication |
5-Chlorocarbonyl-10,11-dihydro-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine |
Authors of publication |
Vijay, T.; Anilkumar, H. G.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
11 |
Pages of publication |
o3718 - o3720 |
a |
16.654 ± 0.003 Å |
b |
10.646 ± 0.002 Å |
c |
7.2599 ± 0.0014 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1287.2 ± 0.4 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
5 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0887 |
Residual factor for significantly intense reflections |
0.0629 |
Weighted residual factors for significantly intense reflections |
0.1105 |
Weighted residual factors for all reflections included in the refinement |
0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.125 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2207334.html