Crystallography Open Database

Information card for entry 2241217

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Structure parameters

Chemical name	(<i>Z</i>)-2-Benzylidene-4-methyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
Formula	C16 H13 N O S
Calculated formula	C16 H13 N O S
SMILES	c12ccccc1N(C(=O)/C(=C/c1ccccc1)S2)C
Title of publication	Crystal structure of (<i>Z</i>)-2-benzylidene-4-methyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
Authors of publication	Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	o862 - o863
a	9.1497 ± 0.0003 Å
b	14.7052 ± 0.0005 Å
c	10.0037 ± 0.0003 Å
α	90°
β	97.051 ± 0.001°
γ	90°
Cell volume	1335.8 ± 0.07 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241217.cif 2241217.hkl
169812	2015-10-29	cif/ hkl/ Adding structures of 2241217 via cif-deposit CGI script.	2241217.cif 2241217.hkl