Information card for entry 2016206

Structure parameters

• Chemical name: Benzylmethylammonium hydrogen maleate
• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: c1(ccccc1)C[NH2+]C.C(=O)(O)/C=C\C(=O)[O-]
• Title of publication: Hydrogen-bonded sheets in benzylmethylammonium hydrogen maleate
• Authors of publication: Santacruz, Lynay; Abonia, Rodrigo; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o585 - o587
• a: 13.1084 ± 0.001 Å
• b: 5.6177 ± 0.0002 Å
• c: 17.6911 ± 0.0013 Å
• α: 90°
• β: 113.566 ± 0.007°
• γ: 90°
• Cell volume: 1194.11 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes