Crystallography Open Database

Information card for entry 2240769

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Structure parameters

Chemical name	(<i>E</i>)-2-Benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
Formula	C25 H20 N2 O2 S
Calculated formula	C25 H20 N2 O2 S
Title of publication	Crystal structure of (<i>E</i>)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
Authors of publication	Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	o423 - o424
a	17.4463 ± 0.0016 Å
b	5.3024 ± 0.0004 Å
c	22.778 ± 0.002 Å
α	90°
β	106.37 ± 0.005°
γ	90°
Cell volume	2021.7 ± 0.3 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	0.1519
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240769.cif 2240769.hkl
137303	2015-05-24	cif/ hkl/ Adding structures of 2240769 via cif-deposit CGI script.	2240769.cif 2240769.hkl