Crystal structure, DFT and MEP study of (E)-2-{[(3-chloro-phen-yl)imino]-meth-yl}-6-methyl-phenol.

In the crystal structure of the title compound, C14H12ClNO, the mol-ecules are linked through C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming chains parallel to the [010] direction. π-π inter-actions and intra-molecular hydrogen bonds are also observed. The mol-ecular geometry of the title compound in the ground state has been calculated using density functional theory at the B3LYP level with the 6-311++G(2d,2p) basis set. Additionally, frontier mol-ecular orbital and mol-ecular electrostatic potential map analyses were performed.

Diacetatobis(2-aminobenzothiazole-kappaN)cobalt(II).

The title complex, [Co(C2H3O2)2(C7H6N2S)2], contains a Co centre with a slightly distorted tetrahedral coordination geometry, involving two acetate ligands and two N atoms from the thiazole moiety [Co-O = 2.0025 (14) and 1.9953 (16) A, and Co-N = 2.0524 (18) and 2.0568 (18) A]. The interplanar angle between the two benzothiazole moieties is 77.86 (3) degrees . The amine groups, acting as donors, participate in intra- and intermolecular N-H...O hydrogen bonds, with N...O distances in the range 2.806 (2)-2.857 (2) A.

N1-(4-tert-Butylphenyl)-N2-hydroxy-alpha-oxo-alpha-phenylacetamidine and N2-hydroxy-N1-(4-nitrophenyl)-alpha-oxo-alpha-phenylacetamidine hemihydrate.

In the title compounds, C18H20N2O2, (I), and C14H11N3O4.0.5H2O, (II), respectively, the oxime groups have an E configuration. In (I), the molecules exist as polymers bound by intermolecular C-H...O and O-H...N hydrogen bonds around inversion centres. In (II), intermolecular OW-H...N, OW-H...O and O-H...OW interactions stabilize the molecular packing.

(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone.

The structure of the title compound, C20H18O2, consists of a dimeric arrangement of benzofuran molecules around an inversion centre, linked via C-H...O hydrogen bonds. There are also C-H...pi ring interactions. All these interactions result in the formation of infinite chains parallel to the [100] axis. The cyclobutane ring is puckered, with a dihedral angle of 29.03 (13) degrees between the two three-atom planes.

N1-(2,6-Dimethylphenyl)-N2-hydroxy-alpha-oxo-alpha-phenylacetamidine.

The structure of the title compound, C(16)H(16)N(2)O(2), consists of a dimeric arrangement around an inversion centre of acetamidine molecules linked via O-H.N hydrogen bonds. There are also H.pi-ring interactions. All these interactions result in the formation of infinite chains parallel to the (101) axis. The oxime group has an E conformation.