Crystallography Open Database

Information card for entry 8106156

Preview

Coordinates	8106156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Cl N2 O2
Calculated formula	C19 H13 Cl N2 O2
Title of publication	Crystal structure of 3-(2-chloro-6-methoxyquinolin-3-yl)-5-phenylisoxazole (C19H13ClN2O2)
Authors of publication	Fernández-Galleguillos, Carlos; Bórquez, Jorge; Cárdenas, Alejandro; Brito, Iván
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	371 - 372
a	11.2461 ± 0.0018 Å
b	15.967 ± 0.002 Å
c	9.2864 ± 0.0013 Å
α	90°
β	106.77 ± 0.009°
γ	90°
Cell volume	1596.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1735
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.378
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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