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6,8-Di-chloro-4-oxochromene-3-carbalde-hyde.

ABSTRACT: The asymmetric unit of the title compound, C10H4Cl2O3, contain two essentially planar independent mol-ecules (mean atomic deviations from the corresponding least-square planes are 0.041 and 0.045?Å for mol-ecules 1 and 2, respectively). In the crystal, mol-ecules are linked through a pair of halogen bonds [Cl?O separations are 3.044?(5) and 3.033?(6)?Å, C-Cl?O angles are 160.4?(3) and 162.8?(3)°, and C=O?Cl angles are 138.7?(4) and 139.6?(4)°, respectively, in mol-ecules 1 and 2] and C-H?O hydrogen bonds into slightly folded bands [the dihedral angle between the planes of neighboring mol-ecules is 8.6?(2)°] along the c-axis direction.

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC3884433 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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6,8-Di-chloro-4-oxochromene-3-carbalde-hyde.

Ishikawa Yoshinobu Y Motohashi Yuya Y

Acta crystallographica. Section E, Structure reports online 20130814 Pt 9

The asymmetric unit of the title compound, C10H4Cl2O3, contain two essentially planar independent mol-ecules (mean atomic deviations from the corresponding least-square planes are 0.041 and 0.045 Å for mol-ecules 1 and 2, respectively). In the crystal, mol-ecules are linked through a pair of halogen bonds [Cl⋯O separations are 3.044 (5) and 3.033 (6) Å, C-Cl⋯O angles are 160.4 (3) and 162.8 (3)°, and C=O⋯Cl angles are 138.7 (4) and 139.6 (4)°, respectively, in mol-ecules 1 and 2] and C-H⋯O hydro ...[more]

PMID: 24427051

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