Information card for entry 2219170

Structure parameters

• Common name: carbazol derivative
• Chemical name: 6-Chloro-3,4-dihydro-9<i>H</i>-carbazol-1(2<i>H</i>)-one
• Formula: C12 H10 Cl N O
• Calculated formula: C12 H10 Cl N O
• SMILES: Clc1cc2c3CCCC(=O)c3[nH]c2cc1
• Title of publication: 6-Chloro-3,4-dihydro-9<i>H</i>-carbazol-1(2<i>H</i>)-one
• Authors of publication: Sridharan, M.; Prasad, K. J. Rajendra; Gunaseelan, A. Thomas; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1635
• a: 10.4211 ± 0.0005 Å
• b: 5.6851 ± 0.0003 Å
• c: 17.0824 ± 0.001 Å
• α: 90°
• β: 100.239 ± 0.006°
• γ: 90°
• Cell volume: 995.93 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes