Crystallography Open Database

Information card for entry 8105379

Preview

Coordinates	8105379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N4 O2
Calculated formula	C14 H12 N4 O2
Title of publication	Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2
Authors of publication	Yu, Xiang; Huang, Ling; Zhou, Xing-Ji; Chen, Ya-Fang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	5
Pages of publication	1065 - 1066
a	18.4206 ± 0.0015 Å
b	8.8283 ± 0.0007 Å
c	17.0215 ± 0.0014 Å
α	90°
β	110.253 ± 0.004°
γ	90°
Cell volume	2596.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105379.html