Information card for entry 2017344

Structure parameters

• Chemical name: 3-chloro-2-nitrobenzoic acid‒quinoline (1/1)
• Formula: C16 H11 Cl N2 O4
• Calculated formula: C16 H11 Cl N2 O4
• Title of publication: Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o534 - o538
• a: 7.6022 ± 0.0003 Å
• b: 7.6251 ± 0.0004 Å
• c: 12.9978 ± 0.0005 Å
• α: 82.3 ± 0.002°
• β: 75.1792 ± 0.0012°
• γ: 85.3277 ± 0.0019°
• Cell volume: 720.94 ± 0.06 ų
• Cell temperature: 185 ± 1 K
• Ambient diffraction temperature: 185 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes