Information card for entry 2235267

Structure parameters

• Chemical name: 2-Chloro-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Formula: C13 H12 Cl N O
• Calculated formula: C13 H12 Cl N O
• SMILES: Clc1cc2c([nH]c3C(=O)CCCCc23)cc1
• Title of publication: 2-Chloro-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one
• Authors of publication: Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.; Gupta, Sushil K.; Öztürk Yildirim, Sema
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1887
• a: 11.6354 ± 0.0004 Å
• b: 6.3798 ± 0.0002 Å
• c: 14.4513 ± 0.0005 Å
• α: 90°
• β: 92.767 ± 0.003°
• γ: 90°
• Cell volume: 1071.49 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes