Information card for entry 8105481

Structure parameters

• Formula: C15 H18 N2 O6
• Calculated formula: C15 H18 N2 O6
• Title of publication: The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6
• Authors of publication: Dai, Bencai; Zhou, Yang; Chen, Jin; Liu, Changchun; Shen, Zhihao; Tang, Junming
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1413 - 1415
• a: 7.4217 ± 0.0018 Å
• b: 7.7021 ± 0.0018 Å
• c: 15.362 ± 0.004 Å
• α: 79.223 ± 0.002°
• β: 82.086 ± 0.003°
• γ: 65.182 ± 0.002°
• Cell volume: 781.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0573
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No