Crystallography Open Database

Information card for entry 2240731

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Structure parameters

Chemical name	2-{[(2-Chlorophenyl)imino]methyl}phenol
Formula	C13 H10 Cl N O
Calculated formula	C13 H10 Cl N O
SMILES	Clc1c(/N=C/c2c(O)cccc2)cccc1
Title of publication	Crystal structure of 2-{[(2-chlorophenyl)imino]methyl}phenol
Authors of publication	Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	1
Pages of publication	o48
a	6.8591 ± 0.0002 Å
b	12.1829 ± 0.0004 Å
c	13.5405 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1131.49 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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