Information card for entry 2100051

Structure parameters

• Formula: C12 H17 N3 O2 S
• Calculated formula: C12 H17 N3 O2 S
• SMILES: COc1ccc(c(c1)O)/C(=N/NC(=S)N(C)C)C
• Title of publication: Space group <i>P</i>1: an update
• Authors of publication: Richard E. Marsh
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 359 - 359
• a: 8.119 Å
• b: 9.064 Å
• c: 9.629 Å
• α: 100.43°
• β: 101.67°
• γ: 96.33°
• Cell volume: 674.508 ų
• Number of distinct elements: 5
• 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