Information card for entry 7100739

Structure parameters

• Formula: C15 H22 N2 O
• Calculated formula: C15 H22 N2 O
• SMILES: NC(=O)C1(N(CCCC1)Cc1ccccc1)CC
• Title of publication: Rapid Generation of Molecular Complexity using Hybrid Multi-Component Reactions (MCRs): Application to the Synthesis of ?-Amino Nitriles and 1,2-Diamines
• Authors of publication: Jason J. Shiers; Guy J. Clarkson; Michael Shipman; Jerome F. Hayes
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 11.149 ± 0.006 Å
• b: 10.559 ± 0.005 Å
• c: 11.588 ± 0.006 Å
• α: 90°
• β: 100.508 ± 0.008°
• γ: 90°
• Cell volume: 1341.3 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No