Crystallography Open Database

Information card for entry 7246808

Preview

Coordinates	7246808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N4 O3 S
Calculated formula	C14 H12 N4 O3 S
SMILES	s1c(C(=O)N/N=C/2CCNc3c(N(=O)=O)cccc23)ccc1
Title of publication	ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS
Authors of publication	Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH
Journal of publication	RSC Medicinal Chemistry
Year of publication	2023
a	9.0301 ± 0.0004 Å
b	13.7515 ± 0.0007 Å
c	11.0994 ± 0.0007 Å
α	90°
β	94.892 ± 0.005°
γ	90°
Cell volume	1373.27 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
283842 (current)	2023-05-18	cif/ Adding structures of 7246807, 7246808 via cif-deposit CGI script.	7246808.cif