Crystallography Open Database

Information card for entry 7246781

Preview

Coordinates	7246781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28.33 N4 O8.16
Calculated formula	C23 H28.326 N4 O8.163
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	12.1553 ± 0.0005 Å
b	8.8076 ± 0.0003 Å
c	22.304 ± 0.0007 Å
α	90°
β	94.608 ± 0.003°
γ	90°
Cell volume	2380.13 ± 0.15 Å³
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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284924 (current)	2023-07-05	cif/ Updating files of 7246781, 7246782, 7246783, 7246784, 7246785 Original log message: Adding full bibliography for 7246781--7246785.cif.	7246781.cif
283733	2023-05-13	cif/ Adding structures of 7246781, 7246782, 7246783, 7246784, 7246785 via cif-deposit CGI script.	7246781.cif