Information card for entry 2232576

Structure parameters

• Common name: 2-(6-Methyl-1,2,3,4-Tetrahydro-9H-carbazol-1-ylidene)propanedinitrile
• Chemical name: 2-(6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Formula: C16 H13 N3
• Calculated formula: C16 H13 N3
• SMILES: [nH]1c2C(=C(C#N)C#N)CCCc2c2cc(ccc12)C
• Title of publication: 2-(6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Authors of publication: Sekar, M.; Velmurugan, R.; Chandramohan, A.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3270
• a: 7.6396 ± 0.0009 Å
• b: 8.4381 ± 0.0008 Å
• c: 10.8967 ± 0.0013 Å
• α: 88.395 ± 0.006°
• β: 71.392 ± 0.007°
• γ: 71.217 ± 0.006°
• Cell volume: 628.08 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes