Information card for entry 2008049

Structure parameters

• Chemical name: N-H...π (Indole) Intermolecular Interaction in 3,3'-Di Indolyl-Phenyl Methane
• Formula: C23 H18 N2
• Calculated formula: C23 H18 N2
• SMILES: [nH]1cc(c2ccccc12)C(c1c[nH]c2ccccc12)c1ccccc1
• Title of publication: N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole
• Authors of publication: R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 75 - 78
• a: 10.1867 ± 0.001 Å
• b: 9.759 ± 0.002 Å
• c: 17.7778 ± 0.001 Å
• α: 90 ± 0.001°
• β: 94.009 ± 0.01°
• γ: 90 ± 0.02°
• Cell volume: 1763 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections: 0.1892
• Weighted residual factors for significantly intense reflections: 0.1618
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes