Information card for entry 2202669

Structure parameters

• Formula: C16 H23 Cl N2
• Calculated formula: C16 H23 Cl N2
• SMILES: CC[NH2+]CC.[Cl-].N(c1ccccc1)c1ccccc1
• Title of publication: A cocrystal of diethylammonium chloride and diphenylamine
• Authors of publication: Bolte, Michael; Panisch, Robin; Müller, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o929 - o930
• a: 9.0679 ± 0.0006 Å
• b: 10.0077 ± 0.0006 Å
• c: 17.8386 ± 0.0013 Å
• α: 90°
• β: 94.726 ± 0.006°
• γ: 90°
• Cell volume: 1613.33 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes