Crystallography Open Database

Information card for entry 1564329

Preview

Coordinates	1564329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N5 O3
Calculated formula	C17 H15 N5 O3
SMILES	n1n(c2ncccc2)c(cc1C(=O)N/N=C/c1c(O)c(O)ccc1)C
Title of publication	A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.
Authors of publication	Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2021
Journal volume	13
Journal issue	37
Pages of publication	4266 - 4279
a	19.559 ± 0.002 Å
b	19.559 ± 0.002 Å
c	16.966 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6490.4 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
269598 (current)	2021-10-06	cif/ Updating files of 1564329, 1564330 Original log message: Adding full bibliography for 1564329--1564330.cif.	1564329.cif
267959	2021-08-06	cif/ Adding structures of 1564329 via cif-deposit CGI script.	1564329.cif