Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242688
Preview
Coordinates | 2242688.cif |
---|---|
Structure factors | 2242688.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>'-(4-methylbenzylidene)benzenesulfonohydrazide |
---|---|
Formula | C14 H13 Cl N2 O2 S |
Calculated formula | C14 H13 Cl N2 O2 S |
SMILES | Clc1ccc(S(=O)(=O)N/N=C/c2ccc(cc2)C)cc1 |
Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives |
Authors of publication | Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 11 |
Pages of publication | 1613 - 1618 |
a | 9.406 ± 0.001 Å |
b | 5.8353 ± 0.0006 Å |
c | 26.93 ± 0.002 Å |
α | 90° |
β | 99.621 ± 0.009° |
γ | 90° |
Cell volume | 1457.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242688.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.