Information card for entry 1512987

Structure parameters

• Formula: C19 H20 N6 O5
• Calculated formula: C19 H20 N6 O5
• Title of publication: Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons
• Authors of publication: Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2011
• Journal volume: 985
• Journal issue: 2--3
• Pages of publication: 361 - 370
• a: 7.4847 ± 0.0012 Å
• b: 11.6703 ± 0.0018 Å
• c: 12.2231 ± 0.0019 Å
• α: 112.355 ± 0.002°
• β: 100.143 ± 0.003°
• γ: 97.136 ± 0.003°
• Cell volume: 950.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No