Crystallography Open Database

Information card for entry 7250393

Preview

Coordinates	7250393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 N4 O3
Calculated formula	C8 H14 N4 O3
Title of publication	Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity
Authors of publication	Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	21
Pages of publication	3456 - 3466
a	8.0489 ± 0.0009 Å
b	8.2275 ± 0.0008 Å
c	8.8795 ± 0.0009 Å
α	65.458 ± 0.01°
β	78.475 ± 0.009°
γ	73.773 ± 0.01°
Cell volume	511.22 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0645
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
300744 (current)	2025-07-06	cif/ Updating files of 7250393, 7250394 Original log message: Adding full bibliography for 7250393--7250394.cif.	7250393.cif
299676	2025-05-15	cif/ Adding structures of 7250393, 7250394 via cif-deposit CGI script.	7250393.cif