Information card for entry 7246785

Structure parameters

• Chemical name: TMP-GA-2MeOH
• Formula: C23 H32 N4 O10
• Calculated formula: C23 H32 N4 O10
• SMILES: O(C)c1c(OC)cc(cc1OC)Cc1c[nH+]c(N)nc1N.[O-]C(=O)c1cc(O)c(O)c(O)c1.OC.OC
• Title of publication: Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation
• Authors of publication: Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 3445 - 3459
• a: 11.2636 ± 0.001 Å
• b: 20.7045 ± 0.0013 Å
• c: 12.0759 ± 0.0011 Å
• α: 90°
• β: 117.535 ± 0.011°
• γ: 90°
• Cell volume: 2497.2 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0862
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No