Crystal structure and energy optimization of dichlorobis(ethylanthranilatonicotinamide)zinc(II)

Narayanan, Venkatraj V. ; Srinivasa Gopalan, R. ; Chakrabarty, Debojit ; Mobin, Shaikh M. ; Mathur, Pradeep (2011) Crystal structure and energy optimization of dichlorobis(ethylanthranilatonicotinamide)zinc(II) Journal of Chemical Crystallography, 41 (6). pp. 801-805. ISSN 1074-1542

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The title compound, C30H28Cl2N4O6Zn, dichlorobis(ethylanthranilatonicotinamide)zinc(II) crystallized in a triclinic space group, P-1, with cell parameters a = 7.787(3), b = 13.468(1), c = 15.735(1), α = 110.25(1), β = 95.11(1), γ = 99.32(1) and Z = 2, with the whole molecule being the asymmetric unit. In this compound, zinc is bound to two ethylanthranilatonicotinamide (EAN) ligands and two chloride ligands in a distorted tetrahedral configuration. The nitrogen of the nicotinamide ring participates in bonding with zinc through its lone pair while the anthranilate nitrogen remains free. In one of the two EAN ligands, the anthranilate and nicotinamide groups are nearly co-planar while in the other, the angle between the two is ~35.5°. The complex shows three hydrogen bonds, two being C-H···O bonds and the other being C-H···Cl bond. The amidic N-H groups do not participate in hydrogen bond formation as they are buried in the core structure and are not accessible for other groups for association. Both the C-H···O bonds occur from C-H bonds present on the twisted EAN moiety.

Item Type:Article
Source:Copyright of this article belongs to Springer.
Keywords:Ethylanthranilatonicotinamide; Zinc Complex; Energy Optimization; MOPAC; Crystal Structure
ID Code:83007
Deposited On:16 Feb 2012 04:27
Last Modified:16 Feb 2012 04:27

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