Crystallography Open Database

Information card for entry 7241428

Preview

Coordinates	7241428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N3 O3
Calculated formula	C14 H13 N3 O3
SMILES	O=C(N/N=C/c1c(O)c(O)ccc1)c1c(N)cccc1
Title of publication	Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach
Authors of publication	Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	63
Pages of publication	38566 - 38577
a	24.7572 ± 0.0013 Å
b	7.6282 ± 0.0005 Å
c	13.3499 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2521.2 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation probe	x-ray
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
258508 (current)	2020-10-21	cif/ Adding structures of 7241424, 7241425, 7241426, 7241427, 7241428, 7241429, 7241430, 7241431, 7241432 via cif-deposit CGI script.	7241428.cif