Crystallography Open Database

Information card for entry 7156807

Preview

Coordinates	7156807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N2 O
Calculated formula	C14 H10 N2 O
Title of publication	Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.
Authors of publication	Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5148 - 5152
a	14.761 ± 0.003 Å
b	9.9736 ± 0.0008 Å
c	15.8257 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2329.9 ± 0.6 Å³
Cell temperature	292.86 ± 0.1 K
Ambient diffraction temperature	292.86 ± 0.1 K
Number of distinct elements	4
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	0.1334
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1848
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
225180 (current)	2019-11-08	cif/ Updating files of 7156807 Original log message: Adding full bibliography for 7156807.cif.	7156807.cif
214764	2019-04-25	cif/ Adding structures of 7156807 via cif-deposit CGI script.	7156807.cif