Crystallography Open Database

Information card for entry 1556734

Preview

Structure parameters

Chemical name	2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol
Formula	C31 H24 Br2 Cl2 N2 O
Calculated formula	C31 H24 Br2 Cl2 N2 O
SMILES	c1(n(c(c(c2ccc(cc2)Br)n1)c1ccc(Br)cc1)c1ccc(cc1)C(C)(C)C)c1cc(Cl)cc(Cl)c1O
Title of publication	2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol
Authors of publication	Devika, S.; Shraddha, K. N.; Begum, Noor Shahina
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	12
Pages of publication	x191672
a	17.7619 ± 0.0005 Å
b	12.7435 ± 0.0004 Å
c	28.2194 ± 0.0008 Å
α	90°
β	102.478 ± 0.002°
γ	90°
Cell volume	6236.5 ± 0.3 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	6
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	0.0707
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.2393
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
245577 (current)	2019-12-25	cif/ hkl/ Adding structures of 1556734 via cif-deposit CGI script.	1556734.cif 1556734.hkl