Crystallography Open Database

Information card for entry 2240847

Preview

Structure parameters

Chemical name	(<i>E</i>)-1-{[(3,5-Dimethylphenyl)imino]methyl}naphthalen-2-ol
Formula	C19 H17 N O
Calculated formula	C19 H17 N O
SMILES	Oc1c(c2ccccc2cc1)/C=N/c1cc(cc(c1)C)C
Title of publication	Crystal structure of (<i>E</i>)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol
Authors of publication	Abu-Dief, Ahmed M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	7
Pages of publication	o496 - o497
a	6.2463 ± 0.0002 Å
b	10.2438 ± 0.0003 Å
c	23.0533 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1475.08 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0484
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240847.cif 2240847.hkl
139441	2015-06-20	cif/ hkl/ Adding structures of 2240847 via cif-deposit CGI script.	2240847.cif 2240847.hkl