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

• Published in: Journal of chemical crystallography Vol. 41; no. 6; pp. 801 - 805
• Main Authors: Narayanan, Venkatraj V., Gopalan, R. Srinivasa, Chakrabarty, Debojit, Mobin, Shaikh M., Mathur, Pradeep
• Format: Journal Article
• Language: English
• Published: Boston Springer US 01-06-2011
• Subjects: Chemistry; Chemistry and Materials Science; Crystallography and Scattering Methods; Inorganic Chemistry; Organometallic Chemistry; Original Paper; Physical Chemistry; MOPAC; Ethylanthranilatonicotinamide; Zinc complex; Energy optimization; Crystal structure
• ISSN: 1074-1542; 1572-8854
• DOI: 10.1007/s10870-010-9981-6

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), 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.
Graphical Abstract
Structure of Dichlorobis(ethylanthranilatonicotinamide)Zinc(II)