Information card for entry 1552261

Structure parameters

• Chemical name: 1-(Cycloheptylidene)thiosemicarbazide
• Formula: C8 H15 N3 S
• Calculated formula: C8 H15 N3 S
• Title of publication: 1-(Cycloheptylidene)thiosemicarbazide
• Authors of publication: Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 8
• Pages of publication: x191153
• a: 12.7584 ± 0.0008 Å
• b: 11.706 ± 0.0007 Å
• c: 13.3452 ± 0.0008 Å
• α: 90°
• β: 92.273 ± 0.002°
• γ: 90°
• Cell volume: 1991.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes