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(E)-3-(6-Nitro-benzo[d][1,3]dioxol-5-yl)-1-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the mol-ecule of the title compound, C(19)H(17)NO(8), the benzodioxole unit is oriented at a dihedral angle of 61.45?(6)° with respect to the meth-oxy-substituted phenyl ring. The nitro group is not co-planar to the benzene ring to which it is attached, making a dihedral angle of 31.86?(17)°. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into chains through R(2) (2)(8) ring motifs. The ??? contacts between the benzodioxole rings, [centroid-centroid distances = 3.7610?(9), 3.6613?(9) and 3.7975?(9)?Å] may further stabilize the structure.

SUBMITTER: Loghmani-Khouzani H

PROVIDER: S-EPMC2970272 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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(E)-3-(6-Nitro-benzo[d][1,3]dioxol-5-yl)-1-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Loghmani-Khouzani Hossein H Abdul Rahman Noorsaadah N Robinson Ward T WT Yaeghoobi Marzieh M Kia Reza R

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

In the mol-ecule of the title compound, C(19)H(17)NO(8), the benzodioxole unit is oriented at a dihedral angle of 61.45 (6)° with respect to the meth-oxy-substituted phenyl ring. The nitro group is not co-planar to the benzene ring to which it is attached, making a dihedral angle of 31.86 (17)°. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into chains through R(2) (2)(8) ring motifs. The π⋯π contacts between the benzodioxole rings, [centroid-centroid distance ...[more]

PMID: 21577987

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