Crystallography Open Database

Information card for entry 8106118

Preview

Coordinates	8106118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 Cl N2
Calculated formula	C17 H13 Cl N2
Title of publication	Crystal structure of 2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine, C17H13Cl1N2
Authors of publication	Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You; Yuan, Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	263 - 264
a	7.83 ± 0.002 Å
b	26.688 ± 0.008 Å
c	7.362 ± 0.002 Å
α	90°
β	115.366 ± 0.003°
γ	90°
Cell volume	1390.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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