Crystallography Open Database

Information card for entry 8104864

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Coordinates	8104864.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide
Chemical name	<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide
Formula	C19 H14 Cl N O2
Calculated formula	C19 H14 Cl N O2
SMILES	Clc1ccc(C(=O)Nc2c(Oc3ccccc3)cccc2)cc1
Title of publication	The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
Authors of publication	Hosten, Eric C.; Betz, Richard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	479 - 481
a	19.328 ± 0.004 Å
b	7.1086 ± 0.0012 Å
c	11.627 ± 0.002 Å
α	90°
β	99.417 ± 0.009°
γ	90°
Cell volume	1576 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0771
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
273978 (current)	2022-03-25	cif/ Adding structures of 8104864 via cif-deposit CGI script.	8104864.cif