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6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde.

ABSTRACT: In the title compound, C11H7ClO3, a chlorinated and methyl-ated 3-formyl-chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670?Å), with the largest deviation from the least-squares plane [0.2349?(17)?Å] being for the pyran carbonyl O atom. In the crystal, mol-ecules are linked through ?-? stacking inter-actions along the a axis [centroid-centroid distance between the pyran rings = 3.824?(6)?Å] and two stacks are connected by type I halogen-halogen inter-actions between the Cl atoms [Cl?Cl = 3.397?(3)?Å].

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4120566 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde.

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140621 Pt 7

In the title compound, C11H7ClO3, a chlorinated and methyl-ated 3-formyl-chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, mol-ecules are linked through π-π stacking inter-actions along the a axis [centroid-centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen-halogen inter-actions ...[more]

PMID: 25161585

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