Information card for entry 2202489

Structure parameters

• Chemical name: 3-Chloro-3-(9-ethyl-6-methyl-9H-carbazol-3-yl)propenal
• Formula: C18 H16 Cl N O
• Calculated formula: C18 H16 Cl N O
• SMILES: Cl\C(=C/C=O)c1cc2c3c(n(c2cc1)CC)ccc(c3)C
• Title of publication: 3-Chloro-3-(9-ethyl-6-methyl-9<i>H</i>-carbazol-3-yl)propenal
• Authors of publication: Aravindan, P. G.; Selvanayagam, S.; Yogavel, M.; Velmurugan, D.; Ravikumar, K.; Nagarajan, N.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1432 - o1434
• a: 7.3191 ± 0.0007 Å
• b: 8.9264 ± 0.0009 Å
• c: 12.2024 ± 0.0012 Å
• α: 105.247 ± 0.002°
• β: 91.771 ± 0.002°
• γ: 104.378 ± 0.002°
• Cell volume: 741.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes