Information card for entry 1570750

Structure parameters

• Common name: cis-Jasmone 4-methylthiosemicarbazone
• Chemical name: <i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
• Formula: C13 H21 N3 S
• Calculated formula: C13 H21 N3 S
• Title of publication: N-Methyl-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; Beck, Johannes; Daniels, Jörg
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 1
• a: 7.9583 ± 0.0002 Å
• b: 11.2703 ± 0.0002 Å
• c: 16.008 ± 0.0005 Å
• α: 83.0428 ± 0.0018°
• β: 86.9392 ± 0.0013°
• γ: 76.5236 ± 0.0018°
• Cell volume: 1385.51 ± 0.06 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No