Crystallography Open Database

Information card for entry 8106910

Preview

Coordinates	8106910.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl) imino)methyl)phenol - ethanol (1/1)
Formula	C24 H25 N3 O3
Calculated formula	C24 H25 N3 O3
SMILES	Oc1c(OC)cccc1/C=N/c1ccccc1c1n(c2c(n1)cccc2)C.OCC
Title of publication	Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
Authors of publication	Zhang, Dong-Mei; Zhou, Ting-Ting; Li, Jia-Wen; Zhang, Fan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	469 - 471
a	10.2246 ± 0.0007 Å
b	21.2529 ± 0.0007 Å
c	10.6924 ± 0.0006 Å
α	90°
β	116.99 ± 0.008°
γ	90°
Cell volume	2070.4 ± 0.2 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281802 (current)	2023-03-10	cif/ Adding structures of 8106910 via cif-deposit CGI script.	8106910.cif