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Information card for entry 2228787
Preview
Coordinates | 2228787.cif |
---|---|
Structure factors | 2228787.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>'-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetohydrazide |
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Formula | C20 H18 Cl N5 O3 S |
Calculated formula | C20 H18 Cl N5 O3 S |
SMILES | O=C(Cn1nc2c(c1C)N(C)S(=O)(=O)c1c2cccc1)N/N=C/c1ccccc1Cl |
Title of publication | <i>N</i>'-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetohydrazide |
Authors of publication | Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | o218 - o219 |
a | 11.4881 ± 0.0002 Å |
b | 12.7518 ± 0.0003 Å |
c | 15.569 ± 0.0004 Å |
α | 71.2778 ± 0.0011° |
β | 78.6837 ± 0.0013° |
γ | 70.4911 ± 0.0012° |
Cell volume | 2025.92 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/2228787.html
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Users of the data should acknowledge the original authors of the
structural data.