Information card for entry 2240409

Structure parameters

• Chemical name: 2-Benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile
• Formula: C23 H21 N3
• Calculated formula: C23 H21 N3
• SMILES: c1(c(c(c2c(CCC2)n1)c1ccc(cc1)C)C#N)NCc1ccccc1
• Title of publication: Crystal structure of 2-benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile
• Authors of publication: Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 192 - 194
• a: 8.6826 ± 0.0004 Å
• b: 17.7282 ± 0.0009 Å
• c: 12.04 ± 0.0006 Å
• α: 90°
• β: 94.253 ± 0.002°
• γ: 90°
• Cell volume: 1848.18 ± 0.16 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: 0.0943
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes