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N-(2,3-Dimethyl-phen-yl)benzamide.

Gowda BT, Tokarčík M, Kožíšek J, Sowmya BP, Fuess H - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The amide group is twisted by 23.0 (3)° out of the plane of the benzoyl ring.In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along the b axis.An intra-molecular C-H⋯O close contact occurs.

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ABSTRACT
The conformation of the N-H bond in the structure of the title compound, C(15)H(15)NO, is anti to the ortho and meta-methyl substituents in the aniline benzene ring, in contrast to the syn conformation observed with respect to the ortho and meta-chloro substituents in N-(2,3-dichloro-phen-yl)benzamide. Furthermore, the conformations of N-H and C=O bonds in the amide group are anti to each other, similar to those observed in other benzanilides. The dihedral angle between the benzoyl and aniline rings is 84.1 (2)°. The amide group is twisted by 23.0 (3)° out of the plane of the benzoyl ring. The structure exhibits positional disorder over the aniline ring, with site occupancies of 0.80 (1) and 0.20 (1) for the major and minor components, respectively. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along the b axis. An intra-molecular C-H⋯O close contact occurs.

No MeSH data available.


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Part of the crystal structure of (I). Molecular chains running along the b axis are generated by N—H···O(i) hydrogen bonds (shown as dashed lines). Symmetry code (i): -x + 1/2,y + 1/2,z. H atoms not involved in intermolecular bonding have been omitted.
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Fap2: Part of the crystal structure of (I). Molecular chains running along the b axis are generated by N—H···O(i) hydrogen bonds (shown as dashed lines). Symmetry code (i): -x + 1/2,y + 1/2,z. H atoms not involved in intermolecular bonding have been omitted.


N-(2,3-Dimethyl-phen-yl)benzamide.

Gowda BT, Tokarčík M, Kožíšek J, Sowmya BP, Fuess H - Acta Crystallogr Sect E Struct Rep Online (2009)

Part of the crystal structure of (I). Molecular chains running along the b axis are generated by N—H···O(i) hydrogen bonds (shown as dashed lines). Symmetry code (i): -x + 1/2,y + 1/2,z. H atoms not involved in intermolecular bonding have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977665&req=5

Fap2: Part of the crystal structure of (I). Molecular chains running along the b axis are generated by N—H···O(i) hydrogen bonds (shown as dashed lines). Symmetry code (i): -x + 1/2,y + 1/2,z. H atoms not involved in intermolecular bonding have been omitted.
Bottom Line: The amide group is twisted by 23.0 (3)° out of the plane of the benzoyl ring.In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along the b axis.An intra-molecular C-H⋯O close contact occurs.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The conformation of the N-H bond in the structure of the title compound, C(15)H(15)NO, is anti to the ortho and meta-methyl substituents in the aniline benzene ring, in contrast to the syn conformation observed with respect to the ortho and meta-chloro substituents in N-(2,3-dichloro-phen-yl)benzamide. Furthermore, the conformations of N-H and C=O bonds in the amide group are anti to each other, similar to those observed in other benzanilides. The dihedral angle between the benzoyl and aniline rings is 84.1 (2)°. The amide group is twisted by 23.0 (3)° out of the plane of the benzoyl ring. The structure exhibits positional disorder over the aniline ring, with site occupancies of 0.80 (1) and 0.20 (1) for the major and minor components, respectively. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along the b axis. An intra-molecular C-H⋯O close contact occurs.

No MeSH data available.


Related in: MedlinePlus