Crystallography Open Database

Information card for entry 8107610

Preview

Coordinates	8107610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl2 F N2
Calculated formula	C16 H11 Cl2 F N2
SMILES	c1cc(ccc1c1nc(c(C)[nH]1)c1ccc(cc1Cl)Cl)F
Title of publication	The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
Authors of publication	Li, Yiting; Zhang, Xiaochun; Weng, Xingshang; Zhuang, Xuewen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	957 - 958
a	9.6732 ± 0.0003 Å
b	15.5602 ± 0.0005 Å
c	19.0881 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2873.08 ± 0.16 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286913 (current)	2023-10-12	cif/ Adding structures of 8107610 via cif-deposit CGI script.	8107610.cif