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Dichloro­diphenoxy­methane

The title compound, C(13)H(10)Cl(2)O(2), is a mixed derivative of orthocarbonic acid. The non-crystallographic symmetry of the mol­ecule is close to C (2v). The aromatic residues are oriented in a syn conformation with respect to the Cl atoms. The least-squares planes through the phenyl rings enclos...

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Detalles Bibliográficos
Autores principales: Betz, Richard, Klüfers, Peter, Reichvilser, Moritz M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960455/
https://www.ncbi.nlm.nih.gov/pubmed/21201386
http://dx.doi.org/10.1107/S160053680706789X
Descripción
Sumario:The title compound, C(13)H(10)Cl(2)O(2), is a mixed derivative of orthocarbonic acid. The non-crystallographic symmetry of the mol­ecule is close to C (2v). The aromatic residues are oriented in a syn conformation with respect to the Cl atoms. The least-squares planes through the phenyl rings enclose an angle of 36.11 (10)°. The C—O bonds at the central carbon are relatively short, and the O—C—O and Cl—C—Cl angles are smaller than the tetra­hedral angle. These metrical peculiarities including a mol­ecular symmetry close to C (2v) are also observed in density functional theory (DFT) calculations, thus ruling out the decisive influence of inter­molecular forces in the crystal structure. Accordingly, only few and weak inter­molecular inter­actions are found. At distances smaller than the sum of the van der Waals radii, only two attractive inter­actions are detected: a weak C—H⋯O and a weak C—H⋯Cl hydrogen bond to one of the two potential acceptor atoms each.