Information card for entry 2241684

Structure parameters

• Chemical name: <i>N</i>^6^-Benzoyladenine‒adipic acid (1/0.5)
• Formula: C15 H14 N5 O3
• Calculated formula: C15 H14 N5 O3
• Title of publication: Supramolecular architecture in a co-crystal of the N(7)—H tautomeric form of <i>N</i>^6^-benzoyladenine with adipic acid (1/0.5)
• Authors of publication: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 805 - 808
• a: 6.1776 ± 0.0004 Å
• b: 9.2296 ± 0.0004 Å
• c: 25.748 ± 0.0015 Å
• α: 90°
• β: 97.117 ± 0.006°
• γ: 90°
• Cell volume: 1456.76 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes