Crystallography Open Database

Information card for entry 2312406

Preview

Coordinates	2312406.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole
Formula	C18 H14 Cl4 N2 O
Calculated formula	C18 H14 Cl4 N2 O
Title of publication	A triclinic polymorph of miconazole.
Authors of publication	Kaspiaruk, Hanna; Chęcińska, Lilianna
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	196 - 200
a	8.8691 ± 0.0008 Å
b	9.4161 ± 0.0009 Å
c	13.0347 ± 0.0011 Å
α	75.502 ± 0.008°
β	85.013 ± 0.008°
γ	62.478 ± 0.01°
Cell volume	934.1 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2049
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290316 (current)	2024-03-05	cif/ Adding structures of 2312406 via cif-deposit CGI script.	2312406.cif