Information card for entry 7204798

Structure parameters

• Common name: 3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid
• Chemical name: 3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid
• Formula: C16 H16 N4 O7
• Calculated formula: C16 H16 N4 O7
• 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: 8.0266 ± 0.0014 Å
• b: 8.5974 ± 0.0016 Å
• c: 12.514 ± 0.002 Å
• α: 84.563 ± 0.003°
• β: 89.934 ± 0.004°
• γ: 75.345 ± 0.003°
• Cell volume: 831.5 ± 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: 0.1191
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No