Crystallography Open Database

Information card for entry 1542982

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Structure parameters

Chemical name	<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide
Formula	C19 H14 N2 O S
Calculated formula	C19 H14 N2 O S
SMILES	S=C(Nc1ccc(cc1)C(=O)c1ccccc1)c1ncccc1
Title of publication	<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide
Authors of publication	Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	3
Pages of publication	x160471
a	9.7001 ± 0.0014 Å
b	12.1805 ± 0.0014 Å
c	13.866 ± 0.0017 Å
α	75.99 ± 0.005°
β	89.069 ± 0.006°
γ	87.074 ± 0.006°
Cell volume	1587.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.2
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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