Crystal structure of (3 E )-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one

In the title compound, C 17 H 14 N 2 O 6 , 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 an...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-09, Vol.70 (9), p.o1051-o1052
Main Authors: Caracelli, Ignez, Maganhi, Stella H., Moran, Paulo J. S., Paula, Bruno R. S. de, Delling, Felix N., Tiekink, Edward R. T.
Format: Article
Language:English
Subjects:
crystal structure
hydrogen bonding
N...O interactions
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Summary:In the title compound, C 17 H 14 N 2 O 6 , 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 molecules associate via C—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814018819