Crystallography Open Database

Information card for entry 7110160

Preview

Coordinates	7110160.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fenobam
Formula	C11 H11 Cl N4 O2
Calculated formula	C11 H11 Cl N4 O2
Title of publication	Experimental evidence for 'carbon bonding' in the solid state from charge density analysis
Authors of publication	Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	50
Pages of publication	49
a	12.8504 ± 0.0002 Å
b	7.6927 ± 0.0001 Å
c	11.9619 ± 0.0002 Å
α	90°
β	101.321 ± 0.001°
γ	90°
Cell volume	1159.48 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.02
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation probe	x-ray
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
180215 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/01.	7110160.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7110160.cif
91948	2013-12-30	cif/ Adding structures of 7110160, 7110161 via cif-deposit CGI script.	7110160.cif