Information card for entry 7218975

Structure parameters

• Common name: 2-amino-5-nitropyridine:chloroacetic acid
• Chemical name: 2-amino-5-nitropyridine:chloroacetic acid
• Formula: C7 H8 Cl N3 O4
• Calculated formula: C7 H8 Cl N3 O4
• Title of publication: Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.
• Authors of publication: Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 2330 - 2334
• a: 4.8198 ± 0.0001 Å
• b: 21.7824 ± 0.0003 Å
• c: 9.3616 ± 0.0002 Å
• α: 90°
• β: 104.264 ± 0.002°
• γ: 90°
• Cell volume: 952.54 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No