Crystallography Open Database

Information card for entry 2000503

2000502 << 2000503 >> 2000504

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Coordinates	2000503.cif
Original IUCr paper	HTML

Structure parameters

Formula	C14 H13 N S
Calculated formula	C14 H13 N S
SMILES	CS/C=C(/c1cccnc1)c1ccccc1
Title of publication	(<i>E</i>)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide
Authors of publication	Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	2098 - 2100
a	12.326 ± 0.002 Å
b	17.177 ± 0.001 Å
c	5.906 ± 0.002 Å
α	90°
β	90°
γ	106.4 ± 0.01°
Cell volume	1199.6 ± 0.5 Å³
Cell temperature	293 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 1 21/b
Hall space group symbol	-P 2bc
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.044
Goodness-of-fit parameter for significantly intense reflections	2.2
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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