Crystallography Open Database

Information card for entry 7241427

Preview

Coordinates	7241427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N2 O5
Calculated formula	C14 H14 N2 O5
SMILES	Oc1ccc(c(O)c1)/C=N/N=C/c1c(O)cc(O)cc1.O
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	15.2515 ± 0.0004 Å
b	6.7577 ± 0.0002 Å
c	13.2137 ± 0.0003 Å
α	90°
β	101.876 ± 0.002°
γ	90°
Cell volume	1332.72 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0549
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7241427.cif