Crystallography Open Database

Information card for entry 1514339

Preview

Coordinates	1514339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.11 H2.39 N0.42 O0.7
Calculated formula	C2.10526 H2.38596 N0.421053 O0.701754
SMILES	O(C)c1ccc(NN=C2C(=O)CC(CC2=O)(C)C)c(N(=O)=O)c1
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	23.38 ± 0.003 Å
b	6.969 ± 0.0007 Å
c	19.937 ± 0.003 Å
α	90°
β	110.851 ± 0.015°
γ	90°
Cell volume	3035.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514339.cif
121556	2014-08-08	cif/ Updating files of 1514339 Original log message: Adding full bibliography for 1514339.cif.	1514339.cif
109487	2014-04-15	cif/ Adding structures of 1514339 via cif-deposit CGI script.	1514339.cif