Crystallography Open Database

Information card for entry 2243764

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Structure parameters

Chemical name	2-[(<i>E</i>)-2-(4-Bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole
Formula	C23 H19 Br N4 O2
Calculated formula	C23 H19 Br N4 O2
SMILES	Brc1ccc(/N=N/c2[nH]c(c(n2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
Title of publication	Crystal structure of 2-[(<i>E</i>)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole: the first example of a structurally characterized triarylazoimidazole
Authors of publication	Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	3
Pages of publication	305 - 308
a	10.7812 ± 0.0009 Å
b	12.7877 ± 0.0011 Å
c	15.4575 ± 0.0013 Å
α	90°
β	109.635 ± 0.002°
γ	90°
Cell volume	2007.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1165
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
262299 (current)	2021-02-27	cif/ hkl/ Adding structures of 2243764 via cif-deposit CGI script.	2243764.cif 2243764.hkl