Crystallography Open Database

Information card for entry 1543083

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Structure parameters

Chemical name	(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
Formula	C24 H21 N3 O S
Calculated formula	C24 H21 N3 O S
SMILES	s1c(/C=C2\N=C(N(/N=C/c3ccc(cc3)C(C)C)C2=O)c2ccccc2)ccc1
Title of publication	(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
Authors of publication	Kamni; Singh, Vikram D.; 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	x160587
a	15.8392 ± 0.0013 Å
b	12.9075 ± 0.001 Å
c	10.3997 ± 0.0008 Å
α	90°
β	103.354 ± 0.008°
γ	90°
Cell volume	2068.7 ± 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	0.1203
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2469
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
182044 (current)	2016-04-13	cif/ hkl/ Adding structures of 1543083 via cif-deposit CGI script.	1543083.cif 1543083.hkl