Crystallography Open Database

Information card for entry 2240726

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Structure parameters

Common name	Benzimidazole
Chemical name	2-(1<i>H</i>-Benzimidazol-2-yl)phenol
Formula	C13 H10 N2 O
Calculated formula	C13 H10 N2 O
SMILES	Oc1c(c2[nH]c3ccccc3n2)cccc1
Title of publication	2-(1<i>H</i>-Benzimidazol-2-yl)phenol
Authors of publication	Prakash, S. M.; Thiruvalluvar, A.; Rosepriya, S.; Srinivasan, N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o184
a	16.864 ± 0.004 Å
b	4.7431 ± 0.0008 Å
c	12.952 ± 0.002 Å
α	90°
β	102.34 ± 0.02°
γ	90°
Cell volume	1012.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1458
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240726.cif 2240726.hkl
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	2240726.cif 2240726.hkl
136886	2015-05-18	cif/ hkl/ Adding structures of 2240726 via cif-deposit CGI script.	2240726.cif 2240726.hkl