Crystallography Open Database

Information card for entry 2242771

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Structure parameters

Chemical name	<i>N</i>-(4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide
Formula	C17 H14 Cl N3 O3
Calculated formula	C17 H14 Cl N3 O3
SMILES	Clc1ccc(cc1)c1oc(nn1)COc1ccc(NC(=O)C)cc1
Title of publication	Crystal structures of 3-methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile and <i>N</i>-(4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide
Authors of publication	Lakshmithendral, K.; Archana, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	12
Pages of publication	1919 - 1922
a	42.24 ± 0.01 Å
b	10.233 ± 0.003 Å
c	7.496 ± 0.002 Å
α	90°
β	91.016 ± 0.011°
γ	90°
Cell volume	3239.6 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
212316 (current)	2018-12-04	cif/ hkl/ Adding structures of 2242770, 2242771 via cif-deposit CGI script.	2242771.cif 2242771.hkl