Information card for entry 2004386

Structure parameters

• Formula: C11 H10 N2 O S
• Calculated formula: C11 H10 N2 O S
• SMILES: O=C(c1ccccc1)/N=c1\sccn1C
• Title of publication: <i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact
• Authors of publication: Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 136 - 139
• a: 8.446 ± 0.003 Å
• b: 23.76 ± 0.08 Å
• c: 10.454 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2098 ± 7 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No