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2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.

Jasinski JP, Butcher RJ, Hakim Al-Arique QN, Yathirajan HS, Ramesha AR - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8 (6)°.The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H⋯O⋯H-N-H⋯O hydrogen-bonded chain along the c axis in concert with weak N-H⋯Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001).Additional weak C-Cl⋯Cg [Cl⋯Cg = 3.858 (3) Å] and N-O⋯Cg [O⋯Cg = 3.574 (1) and 3.868 (6) Å] π-ring inter-actions provide added support to the crystal stability.

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ABSTRACT
In the title compound, C(13)H(9)ClN(2)O(3), an intra-molecular hydrogen bond between the carbonyl O and an amine H atom from the 2-amino-benzoyl group stabilizes the mol-ecule, keeping these two groups nearly in the same plane [dihedral angle 14.6 (6)°]. The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8 (6)°. The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H⋯O⋯H-N-H⋯O hydrogen-bonded chain along the c axis in concert with weak N-H⋯Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001). Additional weak C-Cl⋯Cg [Cl⋯Cg = 3.858 (3) Å] and N-O⋯Cg [O⋯Cg = 3.574 (1) and 3.868 (6) Å] π-ring inter-actions provide added support to the crystal stability. A MOPAC computational calculation gives support to these observations.

No MeSH data available.


Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lines indicate hydrogen bonds.
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Fap1: Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lines indicate hydrogen bonds.


2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.

Jasinski JP, Butcher RJ, Hakim Al-Arique QN, Yathirajan HS, Ramesha AR - Acta Crystallogr Sect E Struct Rep Online (2009)

Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lines indicate hydrogen bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977436&req=5

Fap1: Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lines indicate hydrogen bonds.
Bottom Line: The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8 (6)°.The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H⋯O⋯H-N-H⋯O hydrogen-bonded chain along the c axis in concert with weak N-H⋯Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001).Additional weak C-Cl⋯Cg [Cl⋯Cg = 3.858 (3) Å] and N-O⋯Cg [O⋯Cg = 3.574 (1) and 3.868 (6) Å] π-ring inter-actions provide added support to the crystal stability.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(13)H(9)ClN(2)O(3), an intra-molecular hydrogen bond between the carbonyl O and an amine H atom from the 2-amino-benzoyl group stabilizes the mol-ecule, keeping these two groups nearly in the same plane [dihedral angle 14.6 (6)°]. The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8 (6)°. The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H⋯O⋯H-N-H⋯O hydrogen-bonded chain along the c axis in concert with weak N-H⋯Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001). Additional weak C-Cl⋯Cg [Cl⋯Cg = 3.858 (3) Å] and N-O⋯Cg [O⋯Cg = 3.574 (1) and 3.868 (6) Å] π-ring inter-actions provide added support to the crystal stability. A MOPAC computational calculation gives support to these observations.

No MeSH data available.