Information card for entry 2000112

Structure parameters

• Common name: 2-Imino-5-phenyl-thiazolidin-4-one
• Formula: C9 H8 N2 O S
• Calculated formula: C9 N2 O S
• SMILES: NC1=NC(C(S1)c1ccccc1)=O
• Title of publication: Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4
• Authors of publication: Mornon, J. P.; Raveau, B.
• Journal of publication: Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
• Year of publication: 1971
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 95 - 108
• a: 9.3 ± 0.05 Å
• b: 33.25 ± 0.15 Å
• c: 6.75 ± 0.04 Å
• α: 90°
• β: 120 ± 0.3°
• γ: 90°
• Cell volume: 1807.63 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.11
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No