Information card for entry 2235048
Chemical name |
1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione |
Formula |
C18 H19 N3 O2 S |
Calculated formula |
C18 H19 N3 O2 S |
SMILES |
S1(=O)(=O)N(c2ccccc2C(=N/N=C(c2ccccc2)\C)C1)CC |
Title of publication |
1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione |
Authors of publication |
Shafiq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Bukhari, Iftikhar Hussain; Ejaz |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
6 |
Pages of publication |
o1927 |
a |
9.7278 ± 0.0003 Å |
b |
12.4327 ± 0.0003 Å |
c |
14.2607 ± 0.0004 Å |
α |
90° |
β |
100.725 ± 0.001° |
γ |
90° |
Cell volume |
1694.6 ± 0.08 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
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 |
0.072 |
Residual factor for significantly intense reflections |
0.0455 |
Weighted residual factors for significantly intense reflections |
0.1296 |
Weighted residual factors for all reflections included in the refinement |
0.1507 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.995 |
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/2235048.html