Information card for entry 4020555

Structure parameters

• Formula: C9 H12 N4 S2
• Calculated formula: C9 H12 N4 S2
• SMILES: C1(=S)N(C=CN1C)CN1C(=S)N(C=C1)C
• Title of publication: Unexpected New Chemistry of the Bis(thioimidazolyl)methanes
• Authors of publication: Rosalice M. Silva; Mark D. Smith; James R. Gardinier
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8755 - 8763
• a: 13.5218 ± 0.001 Å
• b: 36.256 ± 0.003 Å
• c: 4.4236 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No