Information card for entry 2005874

Structure parameters

• Formula: C12 H7 N3 O2 S
• Calculated formula: C12 H7 N3 O2 S
• SMILES: O=C1C(=NNc2nccs2)C(=O)c2c1cccc2
• Title of publication: 2-(2-Thiazolylhydrazono)indan-1,3-dione
• Authors of publication: Özbey, S.; Temel, A.; Özgün, B. H.; Ertan, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 113 - 116
• a: 5.377 ± 0.001 Å
• b: 10.488 ± 0.001 Å
• c: 20.32 ± 0.002 Å
• α: 77.41 ± 0.01°
• β: 86.14 ± 0.01°
• γ: 80.28 ± 0.01°
• Cell volume: 1101.8 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No