Information card for entry 8106804

Structure parameters

• Formula: C14 H11 N3 S
• Calculated formula: C14 H11 N3 S
• SMILES: c12c(C(c3c2cccc3)=NNC(=S)N)cccc1
• Title of publication: Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
• Authors of publication: Hijazi, Ahmed K.; Abu-Salem, Qutaiba; Ajlouni, Abdulaziz; Taha, Ziyad A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 129 - 131
• a: 19.813 ± 0.0012 Å
• b: 8.1643 ± 0.0005 Å
• c: 14.9521 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.088
• 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: No