Crystallography Open Database

Information card for entry 1543086

Preview

Coordinates	1543086.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
Formula	C22 H17 N3 O2 S
Calculated formula	C22 H17 N3 O2 S
SMILES	s1c(/C=C2\N=C(c3ccccc3)N(C2=O)/N=C/c2ccc(OC)cc2)ccc1
Title of publication	(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
Authors of publication	Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	4
Pages of publication	x160566
a	20.6796 ± 0.0018 Å
b	5.4004 ± 0.0004 Å
c	17.2537 ± 0.0016 Å
α	90°
β	104.299 ± 0.009°
γ	90°
Cell volume	1867.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0941
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182047 (current)	2016-04-13	cif/ Adding structures of 1543086 via cif-deposit CGI script.	1543086.cif