Information card for entry 2200671

Structure parameters

• Common name: trimethoprim glutarate
• Chemical name: 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium glutarate
• Formula: C19 H26 N4 O7
• Calculated formula: C19 H26 N4 O7
• SMILES: O(c1cc(Cc2c(nc([nH+]c2)N)N)cc(OC)c1OC)C.[O-]C(=O)CCCC(=O)O
• Title of publication: N—H···O and O—H···O hydrogen bonds in crystal engineering: trimethoprim hydrogen glutarate
• Authors of publication: Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1206 - o1208
• a: 12.017 ± 0.002 Å
• b: 10.09 ± 0.003 Å
• c: 8.804 ± 0.004 Å
• α: 84.43 ± 0.003°
• β: 94.9 ± 0.003°
• γ: 104.59 ± 0.003°
• Cell volume: 1026.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 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: 0.048
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No