Information card for entry 1570479

Structure parameters

• Common name: cis-jasmone thiosemicarbazone
• Chemical name: 2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
• Formula: C12 H19 N3 S
• Calculated formula: C12 H19 N3 S
• Title of publication: A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
• Authors of publication: Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 11
• a: 15.0159 ± 0.0007 Å
• b: 8.0595 ± 0.0003 Å
• c: 10.8243 ± 0.0005 Å
• α: 90°
• β: 94.372 ± 0.003°
• γ: 90°
• Cell volume: 1306.15 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No