Crystallography Open Database

Information card for entry 4512830

Preview

Coordinates	4512830.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trichloroimidazole
Chemical name	2,4,5-trichloro-1H-imidazole
Formula	C3 H Cl3 N2
Calculated formula	C3 H Cl3 N2
Title of publication	Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
Authors of publication	Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	1658
a	9.9264 ± 0.0008 Å
b	16.0761 ± 0.0014 Å
c	3.8161 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	608.96 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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