6 research outputs found
2-[Bis(2-aminoÂethyl)amino]ethanaminium chloride dichloroÂmethane solvate
In the title compound, C6H19N4
+·Cl−·CH2Cl2, the non-H atoms of the ammonium ion show non-crystallographic C
3 symmetry. The chloride ion is embedded in a framework of seven crystallographically independent hydrogen bonds (five N—H⋯Cl and two C—H⋯Cl), which form layers parallel to the (100) plane. Two N---H...N bonds also occur
Dichlorodiphenoxymethane
The title compound, C13H10Cl2O2, is a mixed derivative of orthocarbonic acid. The non-crystallographic symmetry of the molecule is close to C2v. 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 C2v 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