Information card for entry 4117127

Structure parameters

• Formula: C15 H16 Cl N O2
• Calculated formula: C15 H16 Cl N O2
• Title of publication: Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates
• Authors of publication: Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 3441 - 3449
• a: 32.088 ± 0.005 Å
• b: 6.219 ± 0.001 Å
• c: 7.225 ± 0.001 Å
• α: 90 ± 0°
• β: 92.609 ± 0.014°
• γ: 90 ± 0°
• Cell volume: 1440.3 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0554
• Goodness-of-fit parameter for significantly intense reflections: 12.915
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No