Information card for entry 2023080

Structure parameters

• Common name: cis-Jasmone 4-ethylthiosemicarbazone
• Chemical name: <i>N</i>-Ethyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
• Formula: C14 H23 N3 S
• Calculated formula: C14 H23 N3 S
• Title of publication: Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
• Authors of publication: Oliveira, Adriano Bof de; Beck, Johannes; Daniels, Jörg
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 7.4584 ± 0.0002 Å
• b: 7.7429 ± 0.0003 Å
• c: 13.2461 ± 0.0003 Å
• α: 103.025 ± 0.002°
• β: 98.735 ± 0.002°
• γ: 90.769 ± 0.002°
• Cell volume: 735.73 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0447
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No