Information card for entry 2017708

Structure parameters

• Chemical name: 2,5-dichloroanilinium picrate
• Formula: C12 H8 Cl2 N4 O7
• Calculated formula: C12 H8 Cl2 N4 O7
• SMILES: c1(c(ccc(c1)Cl)Cl)[NH3+].c1(c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)[O-]
• Title of publication: Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate
• Authors of publication: Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o337 - o340
• a: 4.3288 ± 0.0018 Å
• b: 23.372 ± 0.01 Å
• c: 15.292 ± 0.006 Å
• α: 90°
• β: 94.606 ± 0.007°
• γ: 90°
• Cell volume: 1542.1 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes