The title hydrated mol-ecular organic salt, C10H10N2 (2+)·C10H6O6S2 (2-)·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-di-sulfonate anion and a water mol-ecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C-C bond of the cation, and at the center of the fused C-C bon...

The structure of the title compound, [Zn(C14H18N4)(C2H3N)(H2O)](ClO4)2, contains a six-coordinate cation consisting of the tetra-dentate bis-picen ligand, coordinated water, and coordinated aceto-nitrile, with the latter two ligands adopting a cis configuration. There are two formula units in the asymmetric unit. Both cations show almost identical structural features with the bis-picen ligand a...

IN THE CATION OF THE TITLE COMPOUND [SYSTEMATIC NAME: (RS)-4-(3-carb-oxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 2,4,6-trinitro-phenolate], C(17)H(20)F(2)N(3)O(3) (+)·C(6)H(2)N(3)O(7) (-), the piper-azine ring adopts a slightly distorted chair conformation and contains a protonated N atom. An intra-molecular O-H⋯O hydrogen bond occurs in the cation. The di...

A theoretical study of the peri interactions, both intramolecular hydrogen (HB) and chalcogen bonds (YB), in 1-hydroxy-8YH-naphthalene, 1,4-dihydroxy-5,8-di-YH-naphthalene, and 1,5-dihydroxy-4,8-di-YH-naphthalene, with Y = O, S, and Se was carried out. The systems with a OH:Y hydrogen bond are the most stable ones followed by those with a chalcogen O:Y interaction, those with a YH:O hydrogen bo...

In the title compound, C(11)H(10)ClNO(3), the dihedral angle between the benzene ring and the amide group is 6.6 (10)° and an intramolecular O-H⋯O hydrogen bond occurs. In the crystal, molecules are linked by N-H⋯O hydrogen bonds, generating C(7) zigzag chains.

The title compound, C(12)H(21)NO(4), a γ-aminobutyric acid derivative, crystallizes with two mol-ecules in the asymmetric unit. The crystal structure is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, forming a strand. An intramolecular N-H⋯O hydrogen bond is also observed.

Approximate ab initio molecular orbital methods are used to examine the structural and electronic properties of oxymorphone. The most stable conformation of the molecule is found to include an intramolecular hydrogen bond between the C-14 hydroxyl group and the nitrogen atom in agreement with available experimental data. The total molecular electron density is transformed to a set of localized ...

In mol-ecule of the title compound, C(16)H(14)N(2)O(2), the two aromatic rings form a dihedral angle of 6.93 (3)° and an intramolecular N-H⋯O hydrogen bond occurs. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into zigzag chains running in the [10] direction.

The title compound, C(7)H(4)Cl(2)O(2), exhibits a layer crystal structure; mol-ecules within each layer are linked by weak C-H⋯O inter-molecular hydrogen bonds. There is also an intramolecular O-H⋯O hydrogen bond.

There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)BrClN(3)O(2), in which the dihedral angles between the benzene and pyridine rings are 8.23 (9)° and 52.84 (12)°. Both the mol-ecules exist in an E configuration with respect to the C=N double bond. The two mol-ecules in the asymmetric unit are linked via weak C-H⋯O hydrogen bonds. In both the mol-ecules,...