Information card for entry 2207483

Structure parameters

• Common name: Trimethoprim fluoroborate
• Chemical name: 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium fluoroborate
• Formula: C14 H19 B F4 N4 O3
• Calculated formula: C14 H19 B F4 N4 O3
• Title of publication: Hydrogen-bonding patterns in trimethoprim tetrafluoroborate
• Authors of publication: Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4107 - o4109
• a: 9.4105 ± 0.0003 Å
• b: 9.5397 ± 0.0002 Å
• c: 10.1276 ± 0.0004 Å
• α: 88.564 ± 0.002°
• β: 73.253 ± 0.002°
• γ: 72.304 ± 0.002°
• Cell volume: 827.48 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1322
• 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