Information card for entry 4300592

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 ų
• 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 Fobs: No