Information card for entry 4021289

Structure parameters

• Formula: C14 H19 N3
• Calculated formula: C14 H19 N3
• SMILES: [C@@H](n1cncc1)([C@H](C)N(C)C)c1ccccc1
• Title of publication: Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols
• Authors of publication: Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5124 - 5127
• a: 7.908 ± 0.004 Å
• b: 5.891 ± 0.003 Å
• c: 14.029 ± 0.007 Å
• α: 90°
• β: 95.691 ± 0.008°
• γ: 90°
• Cell volume: 650.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No