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Vol. 30 No. 7 (2018): Vol 30 Issue 7

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Synthesis, Vibrational Spectroscopy, Crystal Structure and Hirshfeld Surface Analysis of Sodium Aquadichlororido[N-(3-aminopropyl)-N′-(propyl)ethane-1,2-diamine]chromium(III) Tetrachloridozincate

https://doi.org/10.14233/ajchem.2018.21266
Dohyun Moon
Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea
Jong-Ha Choi
Department of Chemistry, Andong National University, Andong 36729, Republic of Korea

Corresponding Author(s) : Jong-Ha Choi

jhchoi@anu.ac.kr

Asian Journal of Chemistry, Vol. 30 No. 7 (2018): Vol 30 Issue 7

Abstract

The structure of aquadichlororido[N-(3-aminopropyl)-N′-(propyl)ethane-1,2-diamine]chromium(III) tetrachloridozincate, Na[CrCl2(C8H21N3)(OH2)]ZnCl4 (C8H21N3 is N-(3-aminopropyl)-N′- (propyl)ethane-1,2-diamine), has been determined from synchrotron X-ray diffraction data. The complex crystallized in the space group P21/n of the monoclinic system with four mononuclear formula units in a cell of dimensions a = 12.665(3), b = 14.048(3), c = 12.814(3) Å and β = 118.57(3)°. The Cr(III) ion is coordinated by three N atoms from the N-(3-aminopropyl)-N’-(propyl)ethane-1,2-diamine, two chloride ions and one O atom from a water molecule in a trans-meridional arrangement, displaying a slightly distorted octahedral geometry. Three Cr–N bond lengths are in the ranges 2.056 (2) to 2.126 (2) Å while the mean Cr–Cl and Cr–(OH2) bond lengths are 2.3248 (8) and 2.0185 (17) Å, respectively. The crystal packing is stabilized by hydrogen bonding interactions among the amine N–H groups, the water molecule O–H group, Cl ligand and Cl atom of tetrachloridozincate anion. The tetrahedral [ZnCl4]2- anion is distorted owing to its involvements in O–H···Cl and N–H···Cl hydrogen bonds and connecting Na+ ion. Hirshfeld surface (HS) analysis by 3D molecular surface contours and 2D fingerprint plots have been used to analyze intermolecular interactions present in the crystal. The IR and Raman spectral properties are also described.

Keywords

Crystal structure N-(3-Aminopropyl)-N’-(propyl)ethane-1,2-diamine Chromium(III) Hirshfeld surface analysis
Moon, D., & Choi, J.-H. (2018). Synthesis, Vibrational Spectroscopy, Crystal Structure and Hirshfeld Surface Analysis of Sodium Aquadichlororido[N-(3-aminopropyl)-N′-(propyl)ethane-1,2-diamine]chromium(III) Tetrachloridozincate. Asian Journal of Chemistry, 30(7), 1593–1598. https://doi.org/10.14233/ajchem.2018.21266
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