Crystallography Open Database

Information card for entry 7240262

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Structure parameters

Formula	C10 H10 N2
Calculated formula	C10 H10 N2
SMILES	n1c(c2ccccc2)c([nH]c1)C
Title of publication	Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C–C bond cleavage
Authors of publication	Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	23
Pages of publication	13815 - 13819
a	9.612 ± 0.003 Å
b	7.441 ± 0.002 Å
c	24.001 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1716.6 ± 0.9 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
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	0.1112
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240262.cif
258114	2020-10-06	cif/ Updating files of 7240260, 7240261, 7240262 Original log message: Adding full bibliography for 7240260--7240262.cif.	7240262.cif
250395	2020-04-06	cif/ Adding structures of 7240260, 7240261, 7240262 via cif-deposit CGI script.	7240262.cif