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(2E)-1-(Pyridin-2-yl)-3-(2,4,5-tri-meth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: The title heteroaryl chalcone derivative, C17H17NO4, is close to planar: the dihedral angle between the pyridine and benzene rings is 3.71?(11)° and the meth-oxy C atoms deviate from their attached ring by 0.046?(3), -0.044?(2) and 0.127?(3)?Å. The disposition of the pyridine N atom and the carbonyl group is anti [N-C-C-O = -177.7?(2)°]. In the crystal, mol-ecules are linked by weak C-H?N and C-H?O inter-actions into (100) sheets and an aromatic ?-? stacking inter-action between the pyridine and benzene ring, with a centroid-centroid separation of 3.7036?(14)?Å also occurs.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC3770358 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(2E)-1-(Pyridin-2-yl)-3-(2,4,5-tri-meth-oxy-phen-yl)prop-2-en-1-one.

Chantrapromma Suchada S Suwunwong Thitipone T Boonnak Nawong N Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20130612 Pt 7

The title heteroaryl chalcone derivative, C17H17NO4, is close to planar: the dihedral angle between the pyridine and benzene rings is 3.71 (11)° and the meth-oxy C atoms deviate from their attached ring by 0.046 (3), -0.044 (2) and 0.127 (3) Å. The disposition of the pyridine N atom and the carbonyl group is anti [N-C-C-O = -177.7 (2)°]. In the crystal, mol-ecules are linked by weak C-H⋯N and C-H⋯O inter-actions into (100) sheets and an aromatic π-π stacking inter-action between the pyridine and ...[more]

PMID: 24046643

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