Information card for entry 2229646

Structure parameters

• Chemical name: 1,2-Dihydro-9<i>H</i>-carbazole-4(3<i>H</i>)-thione
• Formula: C12 H11 N S
• Calculated formula: C12 H11 N S
• SMILES: S=C1CCCc2[nH]c3ccccc3c12
• Title of publication: 1,2-Dihydro-9<i>H</i>-carbazole-4(3<i>H</i>)-thione
• Authors of publication: Phelan, W. Adam; Ngu-Schwemlein, Maria; Fronczek, Frank R.; McLaughlin, Mark L.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o757
• a: 8.6353 ± 0.0014 Å
• b: 12.1395 ± 0.0015 Å
• c: 9.5808 ± 0.0014 Å
• α: 90°
• β: 104.599 ± 0.01°
• γ: 90°
• Cell volume: 971.9 ± 0.2 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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 significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes