Dataset Information



ABSTRACT: The title compound, C(13)H(8)Cl(3)NO, crystallizes with four mol-ecules in the asymmetric unit. In the mol-ecular structure, the conformations of the central amide -CONH group show a wide range of dihedral angles with respect to the attached aromatic rings (benzoyl and anilino). The dihedral angles between the amide group and the benzoyl ring are 8.1?(3), 4.3?(3), 27.8?(1) and 32.7?(2)° in the four mol-ecules. The amide group is twisted out of the plane of the anilino ring, as shown by the dihedral angles of 85.4?(1), 74.3?(1), 88.1?(1) and 77.6?(1)° in the four mol-ecules. The aromatic rings are oriented at dihedral angles of 86.6?(1), 78.0?(1), 60.3?(1) and 69.8?(1)° in the four mol-ecules. The crystal structure is stabilized via inter-molecular N-H?O hydrogen bonds, aromatic aromatic inter-actions, short Cl?Cl contacts and C-H?Cl hydrogen bonds. Inter-molecular hydrogen bonds connect the mol-ecules into two distinct chains running along the c axis of the crystal. One mol-ecule forms an inversion dimer in which the main inter-actions are ?-? stacking [centroid-centroid distances = 3.749?(1) and 3.760?(1)?Å] and a short Cl?Cl contact of 3.408?(1)?Å.

SUBMITTER: Tokarcik M 

PROVIDER: S-EPMC2969447 | BioStudies | 2009-01-01T00:00:00Z

REPOSITORIES: biostudies

Similar Datasets

1000-01-01 | S-EPMC3213564 | BioStudies
1000-01-01 | S-EPMC2961659 | BioStudies
1000-01-01 | S-EPMC2961009 | BioStudies
1000-01-01 | S-EPMC2968629 | BioStudies
2008-01-01 | S-EPMC2961234 | BioStudies
1000-01-01 | S-EPMC2961786 | BioStudies
1000-01-01 | S-EPMC3200632 | BioStudies
1000-01-01 | S-EPMC2969429 | BioStudies
2008-01-01 | S-EPMC2961721 | BioStudies
1000-01-01 | S-EPMC3011652 | BioStudies