2-Amino-5-nitrophenyl 2-chlorophenyl ketone

Jasinski, Jerry P. and Butcher, Ray J. and Al-Arique, Q. N. M. Hakim and Yathirajan, H. S. and Ramesha, A. R. (2009) 2-Amino-5-nitrophenyl 2-chlorophenyl ketone. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 65 (8). O1908-U3411. ISSN 1600-5368

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Official URL: http://doi.org/10.1107/S160053680902755X

Abstract

In the title compound, C13H9ClN2O3, an intramolecular hydrogen bond between the carbonyl O and an amine H atom from the 2-aminobenzoyl group stabilizes the molecule, keeping these two groups nearly in the same plane dihedral angle 14.6 (6)degrees]. The dihedral angle between the mean planes of the planar 2-aminobenzoyl and 2-chlorobenzoyl groups is 73.8 (6)degrees. The crystal packing is stabilized by a collection of intermediate hydrogen-bonding interactions which forms an infinite N-H center dot center dot center dot O center dot center dot center dot H-N-H center dot center dot center dot O hydrogen-bonded chain along the c axis in concert with weak N-H center dot center dot center dot Cl interactions in the same direction, producing a two-dimensional intermolecular bonding network parallel to (001). Additional weak C-Cl center dot center dot center dot Cg Cl center dot center dot center dot Cg = 3.858 (3) angstrom] and N-O center dot center dot center dot Cg O center dot center dot center dot Cg = 3.574 (1) and 3.868 (6) angstrom] pi-ring interactions provide added support to the crystal stability. A MOPAC computational calculation gives support to these observations.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Shrirekha N
Date Deposited: 19 Aug 2019 10:40
Last Modified: 19 Aug 2019 10:40
URI: http://eprints.uni-mysore.ac.in/id/eprint/6771

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