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(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.

ABSTRACT: The title compound, C(16)H(13)NO(3), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl-phenyl and 3-nitro-phenyl groups is 4.0?(3)° in mol-ecule A and 16.2?(7)° in mol-ecule B. Inter-molecular C-H?O hydrogen bonding involving the O atoms of the 3-nitro-phenyl group of both independent mol-ecules link the mol-ecules into layers approximately parallel to the (110) plane. The layers are held together by ?-? stacking inter-actions between the 4-methyl-phenyl ring of mol-ecule A and the 3-nitro-phenyl ring of mol-ecule B of the adjacent layer, with the distance between the centroids of inter-acting rings being 3.6987?(7)?Å.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2914892 | biostudies-other | 2007

REPOSITORIES: biostudies-other

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(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.

Jasinski Jerry P JP   Butcher Ray J RJ   Narayana B B   Lakshmana K K   Yathirajan H S HS  

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title compound, C(16)H(13)NO(3), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl-phenyl and 3-nitro-phenyl groups is 4.0 (3)° in mol-ecule A and 16.2 (7)° in mol-ecule B. Inter-molecular C-H⋯O hydrogen bonding involving the O atoms of the 3-nitro-phenyl group of both independent mol-ecules link the mol-ecules into layers approximately parallel to the (110) plane. The layers are held together by π-π stac  ...[more]

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