Crystallography Open Database

Information card for entry 8106352

Preview

Coordinates	8106352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 Br N2
Calculated formula	C17 H13 Br N2
Title of publication	Crystal structure of 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine, C17H13BrN2
Authors of publication	Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	935 - 936
a	9.995 ± 0.004 Å
b	13.845 ± 0.005 Å
c	20.213 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2797.1 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0391
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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