Crystallography Open Database

Information card for entry 2241532

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Structure parameters

Chemical name	3-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
Formula	C18 H20 N4 O2 S2
Calculated formula	C18 H20 N4 O2 S2
Title of publication	Crystal structure of 3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
Authors of publication	Al-Alshaikh, Monirah A.; Abuelizz, Hatem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	269 - 272
a	15.2925 ± 0.0002 Å
b	10.0745 ± 0.0001 Å
c	11.9726 ± 0.0001 Å
α	90°
β	93.413 ± 0.001°
γ	90°
Cell volume	1841.28 ± 0.03 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0452
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241532.cif 2241532.hkl
181916	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15.	2241532.cif 2241532.hkl
175338	2016-01-31	cif/ hkl/ Adding structures of 2241532 via cif-deposit CGI script.	2241532.cif 2241532.hkl