Crystallography Open Database

Information card for entry 7233787

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Coordinates	7233787.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-[(2,6-dimethylphenyl)amino]benzoic acid
Chemical name	2-[(2,6-dimethylphenyl)amino]benzoic acid
Formula	C7.5 H7.5 N0.5 O
Calculated formula	C7.5 H7.5 N0.5 O
Title of publication	Comment on ‘Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid’ by R. Hu, Y. Zhoujin, M. Liu, M. Zhang, S. Parkin, P. Zhou, J. Wang, F. Yu and S. Long, RSC Adv., 2018, 8, 15459
Authors of publication	Salbego, Paulo R. S.; Orlando, Tainára; Martins, Marcos A. P.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	48
Pages of publication	28195
a	7.5311 ± 0.0007 Å
b	8.096 ± 0.0009 Å
c	11.1845 ± 0.0012 Å
α	72.496 ± 0.01°
β	83.728 ± 0.009°
γ	73.792 ± 0.017°
Cell volume	624.28 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218205 (current)	2019-09-12	cif/ Adding structures of 7233787 via cif-deposit CGI script.	7233787.cif