Crystallography Open Database

Information card for entry 2311154

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Structure parameters

Chemical name	4-(4,5-Diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline
Formula	C23 H21 N3
Calculated formula	C23 H21 N3
SMILES	n1c([nH]c(c1c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1
Title of publication	4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-di-methyl-aniline.
Authors of publication	Prabhuswamy, M.; Viveka, S.; Madan Kumar, S.; Nagaraja, G. K.; Lokanath, N. K.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 7
Pages of publication	o1006
a	15.228 ± 0.004 Å
b	15.215 ± 0.004 Å
c	17.641 ± 0.004 Å
α	90°
β	110.974 ± 0.004°
γ	90°
Cell volume	3816.5 ± 1.7 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
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	0.1301
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311154.cif
245626	2019-12-25	cif/ Adding structures of 2311154 via cif-deposit CGI script.	2311154.cif