Information card for entry 7204799

Structure parameters

• Common name: 4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid
• Chemical name: 4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid
• Formula: C16 H16 N2 O6
• Calculated formula: C16 H16 N2 O6
• SMILES: c1(ccc(cc1)N(=O)=O)C(=O)O.c1(cc(ccc1)N(C)C)C(=O)O
• Title of publication: Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals
• Authors of publication: Christer B. Aakeröy; John Desper; Brian A. Helfrich
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 19 - 24
• a: 7.1538 ± 0.0013 Å
• b: 7.9978 ± 0.0015 Å
• c: 14.315 ± 0.003 Å
• α: 91.111 ± 0.003°
• β: 91.483 ± 0.004°
• γ: 111.582 ± 0.003°
• Cell volume: 761 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No