Information card for entry 2311997
| Chemical name |
13-Chloro-2-(2-chlorophenyl)-3-oxa-6,9-diazatricyclo[8.4.0.0^2,6^]tetradeca-1(10),11,13-trien-8-one |
| Formula |
C17 H14 Cl2 N2 O2 |
| Calculated formula |
C17 H14 Cl2 N2 O2 |
| SMILES |
Clc1cc2C3(OCCN3CC(=O)Nc2cc1)c1ccccc1Cl |
| Title of publication |
Crystal structure and pseudosymmetry analysis of the triclinic prodrug cloxazolam (Z' = 4). |
| Authors of publication |
Garraza, María Soledad; Gimenez, María Emilia; Vega, Daniel Roberto; Baggio, Ricardo |
| Journal of publication |
Acta crystallographica. Section C, Structural chemistry |
| Year of publication |
2019 |
| Journal volume |
75 |
| Journal issue |
Pt 7 |
| Pages of publication |
851 - 858 |
| a |
16.7989 ± 0.0006 Å |
| b |
17.0054 ± 0.0007 Å |
| c |
22.1341 ± 0.0007 Å |
| α |
78.897 ± 0.002° |
| β |
100.411 ± 0.004° |
| γ |
90.042 ± 0.003° |
| Cell volume |
6098.8 ± 0.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
B -1 |
| Hall space group symbol |
-B 1 |
| Residual factor for all reflections |
0.1159 |
| Residual factor for significantly intense reflections |
0.0574 |
| Weighted residual factors for significantly intense reflections |
0.108 |
| Weighted residual factors for all reflections included in the refinement |
0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.12 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2311997.html
