Crystallography Open Database

Information card for entry 7242395

Preview

Coordinates	7242395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N5 O3
Calculated formula	C16 H13 N5 O3
SMILES	O=C(N/N=C/c1cccc(O)c1O)c1n[nH]c(c2ncccc2)c1
Title of publication	Pyridine-pyrazole based Al(iii) ‘turn on’ sensor for MCF7 cancer cell imaging and detection of picric acid
Authors of publication	Saha, Sayan; De, Avik; Ghosh, Arijit; Ghosh, Avik; Bera, Kaushik; Das, Krishna Sundar; Akhtar, Sohel; Maiti, Nakul C.; Das, Abhijit Kumar; Das, Benu Brata; Mondal, Raju
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	17
Pages of publication	10094 - 10109
a	15.476 ± 0.009 Å
b	11.366 ± 0.007 Å
c	16.349 ± 0.009 Å
α	90°
β	90.29 ± 0.017°
γ	90°
Cell volume	2876 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.114
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
262991 (current)	2021-03-11	cif/ Adding structures of 7242395 via cif-deposit CGI script.	7242395.cif