Crystallography Open Database

Information card for entry 7246016

Preview

Coordinates	7246016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Cl3 N5 O2 Zn
Calculated formula	C11 H14 Cl3 N5 O2 Zn
SMILES	[Zn](Cl)(Cl)(Cl)[n]1ccc(cc1)C(=O)N/N=C/c1[nH+]ccn1C.O
Title of publication	Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study
Authors of publication	Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	5
Pages of publication	866 - 876
a	9.473 ± 0.004 Å
b	13.927 ± 0.006 Å
c	13.293 ± 0.005 Å
α	90°
β	105.063 ± 0.005°
γ	90°
Cell volume	1693.5 ± 1.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
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	0.0608
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
281420 (current)	2023-03-04	cif/ Updating files of 7246015, 7246016 Original log message: Adding full bibliography for 7246015--7246016.cif.	7246016.cif
279936	2022-12-20	cif/ Adding structures of 7246015, 7246016 via cif-deposit CGI script.	7246016.cif