Crystallography Open Database

Information card for entry 1517300

Preview

Coordinates	1517300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N3 O4
Calculated formula	C15 H17 N3 O4
SMILES	N(/N=C\1C(=O)CC(CC1=O)(C)C)c1c(N(=O)=O)cc(cc1)C
Title of publication	Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+
Authors of publication	Subhasri, Annamalai; Anbuselvan, Chinnadurai
Journal of publication	Analytical Methods
Year of publication	2014
Journal volume	6
Journal issue	15
Pages of publication	5596
a	21.628 ± 0.005 Å
b	6.8734 ± 0.0011 Å
c	21.792 ± 0.005 Å
α	90°
β	115.39 ± 0.03°
γ	90°
Cell volume	2926.6 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517300.cif
121419	2014-08-06	cif/ Adding structures of 1517299, 1517300 via cif-deposit CGI script.	1517300.cif