Crystallography Open Database

Information card for entry 8106137

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Coordinates	8106137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N3 S
Calculated formula	C16 H13 N3 S
Title of publication	Crystal structure of (E)-2-(anthracen-9-ylmethylene)hydrazine-1-carbothioamide, C16H13N3S
Authors of publication	Liu, Chao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	315 - 316
a	19.0479 ± 0.0017 Å
b	4.7282 ± 0.0004 Å
c	16.7554 ± 0.0015 Å
α	90°
β	114.309 ± 0.001°
γ	90°
Cell volume	1375.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0644
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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