Crystallography Open Database

Information card for entry 2243935

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Structure parameters

Chemical name	(<i>Z</i>)-2-{[(2,4-Dimethylphenyl)imino]methyl}-4-methylphenol
Formula	C16 H17 N O
Calculated formula	C16 H17 N O
SMILES	Oc1c(cc(cc1)C)/C=N/c1c(cc(cc1)C)C
Title of publication	Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol
Authors of publication	Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	11
a	7.6699 ± 0.0004 Å
b	11.608 ± 0.0006 Å
c	30.1431 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2683.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269938 (current)	2021-10-14	cif/ hkl/ Adding structures of 2243935 via cif-deposit CGI script.	2243935.cif 2243935.hkl