Information card for entry 8100149

Structure parameters

• Formula: C13 H18 N2
• Calculated formula: C13 H18 N2
• SMILES: N(c1ccc(cc1)C#N)(C(C)C)C(C)C
• Title of publication: Crystal structure of 4-(diisopropylamino)benzonitrile, C~13~H~18~N~2~
• Authors of publication: Frey, Wolfgang; Root, Christopher; Gilch, Peter; Braun, Markus
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 291 - 292
• a: 16.657 ± 0.003 Å
• b: 14.714 ± 0.003 Å
• c: 20.725 ± 0.003 Å
• α: 90°
• β: 92.733 ± 0.013°
• γ: 90°
• Cell volume: 5073.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No