Information card for entry 7207551

Structure parameters

• Common name: (Antipyrine)(4-Aminobenzoic acid)
• Chemical name: Antipyrine 4-Aminobenzoic acid (1/1)
• Formula: C18 H19 N3 O3
• Calculated formula: C18 H19 N3 O3
• Title of publication: Screening for cocrystals of succinic acid and 4-aminobenzoic acid
• Authors of publication: Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2454
• a: 9.5767 ± 0.0012 Å
• b: 12.7646 ± 0.0017 Å
• c: 13.9388 ± 0.0018 Å
• α: 90°
• β: 90.758 ± 0.002°
• γ: 90°
• Cell volume: 1703.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No