Information card for entry 1512984

Structure parameters

• Formula: C22 H26 N4 O4
• Calculated formula: C22 H26 N4 O4
• SMILES: c1ncn(c1)Cc1ccc(cc1)Cn1cncc1.OC(=O)C1CCC(CC1)C(=O)O
• 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: 7.375 ± 0.003 Å
• b: 8.391 ± 0.003 Å
• c: 9.373 ± 0.003 Å
• α: 93.882 ± 0.006°
• β: 107.122 ± 0.005°
• γ: 103.957 ± 0.006°
• Cell volume: 531.9 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No