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Crystal Structure and Energy Optimization of Dichlorobis(ethylanthranilatonicotinamide)Zinc(II)

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Title Crystal Structure and Energy Optimization of Dichlorobis(ethylanthranilatonicotinamide)Zinc(II)
 
Creator NARAYANAN, VV
GOPALAN, RS
CHAKRABARTY, D
MOBIN, SM
MATHUR, P
 
Subject Ethylanthranilatonicotinamide
Zinc complex
Energy optimization
MOPAC
Crystal structure
 
Description The title compound, C(30)H(28)Cl(2)N(4)O(6)Zn, 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), alpha = 110.25(1), beta = 95.11(1), gamma = 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 similar to 35.5 degrees. The complex shows three hydrogen bonds, two being C-H center dot center dot center dot O bonds and the other being C-H center dot center dot center dot 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 center dot center dot center dot O bonds occur from C-H bonds present on the twisted EAN moiety.
 
Publisher SPRINGER/PLENUM PUBLISHERS
 
Date 2012-06-26T05:28:25Z
2012-06-26T05:28:25Z
2011
 
Type Article
 
Identifier JOURNAL OF CHEMICAL CRYSTALLOGRAPHY,41(6)801-805
1074-1542
http://dx.doi.org/10.1007/s10870-010-9981-6
http://dspace.library.iitb.ac.in/jspui/handle/100/13969
 
Language English