Crystallography Open Database

Information card for entry 8102532

Preview

Coordinates	8102532.cif

Structure parameters

Chemical name	3-(furan-2-yl)-5-(4-phenylphenyl)-1H-pyrazole, C~20~H~18~N~2~O~2~
Formula	C20 H18 N2 O2
Calculated formula	C20 H18 N2 O2
Title of publication	Crystal structure of 3-(furan-2-yl)-5-(4-phenylphenyl)-1H-pyrazole — methanol (1:1), C19H14N2O · CH3OH
Authors of publication	Chun-Yang Zheng; Ting-Quan Sun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	31
a	10.3615 ± 0.0018 Å
b	13.023 ± 0.002 Å
c	13.641 ± 0.002 Å
α	74.455 ± 0.003°
β	70.384 ± 0.003°
γ	79.281 ± 0.003°
Cell volume	1661.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0792
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102532.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102532.cif
13271	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102532 via cif-deposit CGI script.	8102532.cif