Crystal Structure and Energy Optimization of Dichlorobis(ethylanthranilatonicotinamide)Zinc(II) |
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Authors: | Venkatraj V Narayanan R Srinivasa Gopalan Debojit Chakrabarty Shaikh M Mobin Pradeep Mathur |
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Institution: | (1) Unilever R&D Bangalore, 64, Main Road, Whitefield P.O., Bangalore, 560066, India;(2) Godrej Household Products Limited, Vikhroli (E), Mumbai, 400 079, India;(3) National Single Crystal X-Ray Diffraction Facility, Indian Institute of Technology, Mumbai, 400076, India;(4) School of Sciences, Indian Institute of Technology, Indore, 452017, India |
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Abstract: | Abstract 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. |
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