Crystallography Open Database

Information card for entry 8105380

Preview

Coordinates	8105380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N4 O2
Calculated formula	C18 H14 N4 O2
Title of publication	Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2
Authors of publication	Yu, Xiang; Peng, Lu; Wang, Xin; 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	1067 - 1068
a	7.6557 ± 0.0007 Å
b	11.0905 ± 0.0008 Å
c	11.3544 ± 0.0009 Å
α	61.643 ± 0.001°
β	73.6 ± 0.002°
γ	75.397 ± 0.002°
Cell volume	805.86 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0976
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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