Information card for entry 2019772

Structure parameters

• Common name: Trimethoprim‒3,3-dimethylglutarimide (1/1)
• Chemical name: 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒4,4-dimethylpiperidine-2,6-dione (1/1)
• Formula: C21 H29 N5 O5
• Calculated formula: C21 H29 N5 O5
• SMILES: n1c(N)nc(N)c(c1)Cc1cc(OC)c(OC)c(OC)c1.N1C(=O)CC(CC1=O)(C)C
• Title of publication: Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds
• Authors of publication: Ton, Quoc Cuong; Egert, Ernst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 7.361 ± 0.002 Å
• b: 12.032 ± 0.002 Å
• c: 14.132 ± 0.003 Å
• α: 109.59 ± 0.03°
• β: 92.48 ± 0.03°
• γ: 99.14 ± 0.03°
• Cell volume: 1157.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes