Crystallography Open Database

Information card for entry 8102529

Preview

Coordinates	8102529.cif

Structure parameters

Chemical name	2,4,5-Tribromo-1-methyl-1H-Imidazole
Formula	C4 H3 Br3 N2
Calculated formula	C4 H3 Br3 N2
Title of publication	Crystal structure of 2,4,5-tribromo-1-methyl-1H-imidazole, C4H3Br3N2
Authors of publication	Tim Peppel; Martin Köckerling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	597
a	6.9066 ± 0.0003 Å
b	7.0812 ± 0.0003 Å
c	16.1046 ± 0.0006 Å
α	78.093 ± 0.002°
β	82.467 ± 0.002°
γ	89.781 ± 0.002°
Cell volume	763.81 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102529.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102529.cif
13268	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102529 via cif-deposit CGI script.	8102529.cif