Cargando…
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...
Autores principales: | , , |
---|---|
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 |
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. |
---|