Crystallography Open Database

Information card for entry 7209217

7209216 << 7209217 >> 7209218

Preview

Coordinates	7209217.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Benzimidazole salt of glutaric acid
Formula	C12 H14 N2 O4
Calculated formula	C12 H14 N2 O4
SMILES	c12ccccc1[nH+]c[nH]2.C(=O)(CCCC(=O)O)[O-]
Title of publication	Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids
Authors of publication	Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	1950
a	8.4176 ± 0.0012 Å
b	14.7394 ± 0.0014 Å
c	19.1141 ± 0.0019 Å
α	90°
β	100.12 ± 0.012°
γ	90°
Cell volume	2334.6 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
180423 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92.	7209217.cif
75536	2013-03-10	cif/ Adding structures of 7209216, 7209217 via cif-deposit CGI script.	7209217.cif