Crystallography Open Database

Information card for entry 2241227

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Structure parameters

Common name	2-(4-Chlorobenzamido)benzoic acid
Chemical name	2-(4-Chlorobenzamido)benzoic acid
Formula	C14 H10 Cl N O3
Calculated formula	C14 H10 Cl N O3
SMILES	O=C(Nc1ccccc1C(=O)O)c1ccc(cc1)Cl
Title of publication	Crystal structure of 2-(4-chlorobenzamido)benzoic acid
Authors of publication	Moreno-Fuquen, Rodolfo; Melo, Vanessa; Ellena, Javier
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	o856 - o857
a	26.8843 ± 0.001 Å
b	5.0367 ± 0.0002 Å
c	20.9264 ± 0.0012 Å
α	90°
β	117.489 ± 0.002°
γ	90°
Cell volume	2513.7 ± 0.2 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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