Crystallography Open Database

Information card for entry 7249788

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Coordinates	7249788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N5 O2
Calculated formula	C14 H19 N5 O2
Title of publication	Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas
Authors of publication	Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew
Journal of publication	RSC Medicinal Chemistry
Year of publication	2025
a	13.8479 ± 0.0006 Å
b	11.5901 ± 0.0004 Å
c	9.8993 ± 0.0004 Å
α	90°
β	108.077 ± 0.005°
γ	90°
Cell volume	1510.4 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0601
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297372 (current)	2025-01-18	cif/ Adding structures of 7249788, 7249789, 7249790, 7249791 via cif-deposit CGI script.	7249788.cif