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

Jasinski JP, Butcher RJ, Narayana B, Lakshmana K, Yathirajan HS - Acta Crystallogr Sect E Struct Rep Online (2007)

Bottom Line: 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 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.

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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 π-π 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.

No MeSH data available.


Packing diagram of the title compound, viewed down the a axis. Dashed lines indicate intermolecular C—H···O hydrogen bonds.
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Fap2: Packing diagram of the title compound, viewed down the a axis. Dashed lines indicate intermolecular C—H···O hydrogen bonds.


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

Jasinski JP, Butcher RJ, Narayana B, Lakshmana K, Yathirajan HS - Acta Crystallogr Sect E Struct Rep Online (2007)

Packing diagram of the title compound, viewed down the a axis. Dashed lines indicate intermolecular C—H···O hydrogen bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2914892&req=5

Fap2: Packing diagram of the title compound, viewed down the a axis. Dashed lines indicate intermolecular C—H···O hydrogen bonds.
Bottom Line: 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 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.

View Article: PubMed Central - HTML - PubMed

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 π-π 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.

No MeSH data available.