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Methyl (E)-2-[(2-nitro-phen-oxy)meth-yl]-3-phenyl-acrylate.

Anuradha T, Devaraj A, Seshadri PR, Bakthadoss M - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenyl-acrylate unit.The phenyl ring and methyl acrylate group of the phenyl-acrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively.Intra-molecular C-H⋯O interactions stabilise the molecular structure.

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ABSTRACT
The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenyl-acrylate unit. The phenyl ring and methyl acrylate group of the phenyl-acrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively. The mean plane through the benzene ring of the phenyl acrylate makes dihedral angles of 88.4 (8) (major component) and 86.7 (8)° (minor component) with the nitro-phen-oxy ring; the dihedral angle between the two components is 3.64 (6)°. Intra-molecular C-H⋯O interactions stabilise the molecular structure. In the crystal, C-H⋯O inter-actions result in a chain of mol-ecules running along the b axis.

No MeSH data available.


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A view of the C—-H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound.
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Fap2: A view of the C—-H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound.


Methyl (E)-2-[(2-nitro-phen-oxy)meth-yl]-3-phenyl-acrylate.

Anuradha T, Devaraj A, Seshadri PR, Bakthadoss M - Acta Crystallogr Sect E Struct Rep Online (2012)

A view of the C—-H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379335&req=5

Fap2: A view of the C—-H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound.
Bottom Line: The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenyl-acrylate unit.The phenyl ring and methyl acrylate group of the phenyl-acrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively.Intra-molecular C-H⋯O interactions stabilise the molecular structure.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenyl-acrylate unit. The phenyl ring and methyl acrylate group of the phenyl-acrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively. The mean plane through the benzene ring of the phenyl acrylate makes dihedral angles of 88.4 (8) (major component) and 86.7 (8)° (minor component) with the nitro-phen-oxy ring; the dihedral angle between the two components is 3.64 (6)°. Intra-molecular C-H⋯O interactions stabilise the molecular structure. In the crystal, C-H⋯O inter-actions result in a chain of mol-ecules running along the b axis.

No MeSH data available.


Related in: MedlinePlus