Crystallography Open Database

Information card for entry 2022961

2022960 << 2022961 >> 2022962

Preview

Coordinates	2022961.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-{1-[(2-Hydroxyphenyl)methyl]-1<i>H</i>-1,3-benzodiazol-2-yl}phenol
Formula	C20 H16 N2 O2
Calculated formula	C20 H16 N2 O2
Title of publication	Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1<i>H</i>-1,3-benzo-diazol-2-yl}phenol.
Authors of publication	Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 1
Pages of publication	18 - 21
a	10.6474 ± 0.0003 Å
b	13.2429 ± 0.0003 Å
c	11.4176 ± 0.0003 Å
α	90°
β	99.067 ± 0.001°
γ	90°
Cell volume	1589.79 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1017
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289679 (current)	2024-02-05	cif/ Updating files of 2022961 Original log message: Adding full bibliography for 2022961.cif.	2022961.cif
288280	2023-12-13	cif/ Adding structures of 2022961 via cif-deposit CGI script.	2022961.cif