The molecule of the dinuclear title compound, [Tl(2)(C(9)H(10)NS(2))(6)], possesses a crystallographically imposed centre of symmetry. Each Tl(III) atom is seven-coordinated by S atoms of four different dithio-carbamate anions in a distorted penta-gonal-bipyramidal coordination geometry. The crystal structure is stabilized by a C-H⋯S hydrogen-bond inter-action linking complex mol-ecules into ch...

The title Schiff base compound, C(13)H(9)BrClN(3)O(2)·CH(4)O, was derived from the condensation reaction of 3-bromo-5-chloro-salicylaldehyde with isonicotinohydrazide. The dihedral angle between the benzene and pyridine rings is 5.9 (2)°. In the crystal structure, mol-ecules are linked through N-H⋯O, O-H⋯O, and O-H⋯Br inter-molecular hydrogen bonds, forming dimers and chains. There is also an i...

The replacement of oxygenated functionality (hydroxy and alkoxy) with a fluorine atom is commonly used bioisosteric in medicinal chemistry. In this paper, we use molecular matched-pair analysis to better understand the effects on lipophilicity. It seems that reduced log P compound normally dominant determining size difference. We observe presence additional electron-donating groups an aromatic ...

Convergent preparative routes to new urea-pyrazolate dinucleating ligands are described. Metal complexes of these ligands have hydrogen bond donors that are proximal to the metal centers that interact with other coordinated species. This is exemplified by Co(II) dimers with Co(II)-mu-Cl-Co(II) motifs, in which the chloro ligand is involved in four intramolecular hydrogen bonds. These noncovalen...

In the title compound, C(11)H(16)N(4)O(2), the dihedral angle between the benzene ring and the plane of the four carbon atoms in the piperazine ring is 12.17 (3)°; the latter ring adopts a chair conformation. An intramolecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, the molecules are linked by N-H⋯N hydrogen bonds, forming chains.

In the crystal structure, the mol-ecule of the title compound, C(14)H(16)N(2)O(6), is located on an inversion centre. The amide -NHCO- plane makes a dihedral angle of 34.08 (9)° with the benzene ring. The mol-ecules are connected via inter-molecular O-H⋯N hydrogen bonds into a two-dimensional network parallel to the bc plane. An intramolecular N-H⋯O hydrogen bond is also observed.

Proton transfer and hydrogen bonding are two aspects of the chemistry of hydrogen that respectively govern the behaviour and structure of many molecules, both simple and complex. All the theoretical enol and keto conformations of 1,3-diphenyl-1,3propandion known as dibenzoylmethane (DBM), have been investigated by means of atoms in molecules (AIM) theory. It was found that the most stable confo...

The title Schiff base compound, C(14)H(9)Br(2)ClN(2)O(2)·CH(4)O, was derived from the condensation reaction of 3,5-dibromo-salicylaldehyde with 2-chloro-benzohydrazide. The dihedral angle between the two benzene rings is 48.2 (2)°. In the crystal structure, mol-ecules are linked through O-H⋯O and N-H⋯O inter-molecular hydrogen bonds, forming layers parallel to the bc plane. There is also an O-H...

In the zwitterionic mol-ecule of the title compound, C(10)H(7)N(3)O(4)·H(2)O, one carboxyl group is deprotonated and the pyridine N atom is protonated. The pyridinium and imidazole rings form a dihedral angle of 5.23 (1)°. An intramolecular O-H⋯O hydrogen bond occurs. In the crystal, inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds link the zwitterions and water mol-ecules into sheets para...

The least-squares planes defined by the aromatic moieties in the title aniline derivative, C(13)H(13)NS, are nearly perpendicular to each other, forming a dihedral angle of 87.80 (7)°. Apart from a weak intramolecular N-H⋯S hydrogen bond, a co-operative set of N-H⋯N hydrogen bonds present in the crystal structure leads to the formation of tetra-meric units.