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Crystal structure of (3E)-3-(2,4-di-nitro-phen-oxy-meth-yl)-4-phenyl-but-3-en-2-one.

ABSTRACT: In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345?(2)?Å] is E, with the ketone moiety almost coplanar [C-C-C-C torsion angle = 9.5?(2)°] along with the phenyl ring [C-C-C-C = 5.9?(2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66?(7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 4.2?(2)°], whereas the one in the ortho position is twisted [O-N-C-C = 138.28?(13)°]. The mol-ecules associate via C-H?O inter-actions, involving both O atoms from the 2-nitro group, to form a helical supra-molecular chain along [010]. Nitro-nitro N?O inter-actions [2.8461?(19)?Å] connect the chains into layers that stack along [001].

SUBMITTER: Caracelli I

PROVIDER: S-EPMC4186202 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of (3E)-3-(2,4-di-nitro-phen-oxy-meth-yl)-4-phenyl-but-3-en-2-one.

Caracelli Ignez I Maganhi Stella H SH Moran Paulo J S PJ de Paula Bruno R S BR Delling Felix N FN Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20140823 Pt 9

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C-C-C-C torsion angle = 9.5 (2)°] along with the phenyl ring [C-C-C-C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 4.2 (2)°], whereas the one in the ortho position is twisted [O-N-C-C = 138.28 (13)°]. Th ...[more]

PMID: 25309220

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