Information card for entry 7212754

Structure parameters

• Chemical name: AR-1g-3 2-aminopyridine, 4-chlorobenzoic acid
• Formula: C12 H11 Cl N2 O2
• Calculated formula: C12 H11 Cl N2 O2
• SMILES: Clc1ccc(C(=O)[O-])cc1.[nH+]1c(N)cccc1
• Title of publication: Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation
• Authors of publication: Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4231
• a: 6.6153 ± 0.0014 Å
• b: 7.9832 ± 0.0017 Å
• c: 11.143 ± 0.003 Å
• α: 90°
• β: 99.763 ± 0.005°
• γ: 90°
• Cell volume: 580 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No