Crystallography Open Database

Information card for entry 4300592

Preview

Coordinates	4300592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 O S2
Calculated formula	C11 H12 O S2
SMILES	S=C(SC)/C=C(\O)c1ccc(cc1)C
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	5.1192 ± 0.0005 Å
b	8.0297 ± 0.0008 Å
c	14.459 ± 0.001 Å
α	82.664 ± 0.002°
β	87.786 ± 0.002°
γ	74.965 ± 0.002°
Cell volume	569.29 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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