Information card for entry 2215394

Structure parameters

• Chemical name: (3E)-3-(1,3-Dithiolan-2-ylidenehydrazono)butan-2-one
• Formula: C7 H10 N2 O S2
• Calculated formula: C7 H10 N2 O S2
• SMILES: S1CCSC1=N\N=C(/C)C(=O)C
• Title of publication: (3<i>E</i>)-3-(1,3-Dithiolan-2-ylidenehydrazono)butan-2-one
• Authors of publication: Liu, Xiao-Lan; Liu, Yong-Hong; Dai, Xiang-Qian; Zhao, Yue; Tong, Ben-Wan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4019 - o4019
• a: 10.878 ± 0.003 Å
• b: 7.1855 ± 0.0016 Å
• c: 13.423 ± 0.003 Å
• α: 90°
• β: 112.095 ± 0.003°
• γ: 90°
• Cell volume: 972.1 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes