Information card for entry 2013900

Structure parameters

• Chemical name: methyl-p-aminobenzoate
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: c1(ccc(cc1)C(=O)OC)N
• Title of publication: A new monoclinic polymorph of methyl <i>p</i>-aminobenzoate
• Authors of publication: Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Rando, Daniela G.; Ferreira, Elizabeth I.; Ellena, Javier
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o69 - o71
• a: 8.5969 ± 0.0004 Å
• b: 5.6053 ± 0.0002 Å
• c: 15.5397 ± 0.0007 Å
• α: 90°
• β: 96.172 ± 0.002°
• γ: 90°
• Cell volume: 744.49 ± 0.06 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes