Information card for entry 2216991

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyrimidin-2-yl)terephthalamide dihydrate
• Formula: C16 H16 N6 O4
• Calculated formula: C16 H16 N6 O4
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyrimidin-2-yl)terephthalamide dihydrate
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Subrata Jana; Anita Hazra; Shyamaprosad Goswami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o267 - o268
• a: 5.0733 ± 0.0001 Å
• b: 8.3233 ± 0.0001 Å
• c: 9.9622 ± 0.0002 Å
• α: 68.22 ± 0.001°
• β: 75.441 ± 0.001°
• γ: 82.333 ± 0.001°
• Cell volume: 377.719 ± 0.012 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0485
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes