Crystallography Open Database

Information card for entry 7249935

Preview

Coordinates	7249935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 N5
Calculated formula	C14 H9 N5
SMILES	N(=C\c1c2c(ncc1)cccc2)/C(=C(\N)C#N)C#N
Title of publication	A new quinoline-based fluorescent-colorimetric chemosensor for sensitive and selective “on–off” detection of Pb2+ ions
Authors of publication	Sharma, Vanshika; Dutta, Srishti; Sahu, Devanand; Pandey, Abhilash; Kumar, Dishen; Das, Sanchita; Patra, Goutam Kumar
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	6
Pages of publication	4236 - 4249
a	10.4775 ± 0.0003 Å
b	7.529 ± 0.0003 Å
c	15.5021 ± 0.0005 Å
α	90°
β	94.249 ± 0.003°
γ	90°
Cell volume	1219.52 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0393
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7249935.cif
297678	2025-02-11	cif/ Adding structures of 7249935 via cif-deposit CGI script.	7249935.cif