In the monomeric title complex, [Cd(C2O4)(CH3N5)2(H2O)2], the Cd(II) ion exhibits a distorted octa-hedral coordination geometry, with the equatorial plane defined by two O atoms from an oxalate ligand and two N atoms from two 5-amino-1H-tetra-zole ligands; the axial sites are occupied by two water mol-ecules, with longer Cd-O bond lengths. An intra-molecular N-H⋯O hydrogen bond occurs. In the c...

In the title compound, C(12)H(9)ClN(2)O(4)S, the N-H bond in the -SO(2)-NH- segment is syn to both the ortho-nitro group in the sulfonyl-benzene ring and the ortho-Cl atom in the aniline ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 75.0 (2)°. The dihedral angle between the sulfonyl-benzene and aniline rings is 54.97 (11)°. The amide H atom shows bifurcated hydrogen bon...

The title compound, C(16)H(11)ClN(2)O(2)·H(2)O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, mol-ecules are linked via (N,C)-H⋯O bifurcated acceptor hydrogen bonds and (O,O,C)-H⋯O trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.

In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 53.44 (14)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H⋯O hydrogen bond generates an S(7) motif while in the crystal, N-H⋯O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains along the c axis.

In the title compound, C(16)H(9)F(4)N(3)O(2), the dihedral angle between the aromatic ring systems is 4.10 (14)° and a bifurcated intra-molecular N-H⋯(O,F) hydrogen bond generates an S(6) ring for the O-atom acceptor and an S(5) ring for the F-atom acceptor. A short C-H⋯O conact also occurs. In the crystal, mol-ecules are linked by C-H⋯O inter-actions.

Density Functional Theory (DFT) calculations have been carried out using a Polarizable Continuum Model (PCM) in an attempt to investigate the electro-molecular properties of branched-chain glucoside (C14C10-D-glucoside) isomers. The results showed that αconfiguration of pyranoside form is thermodynamically the most stable, while the solution should contain much more β...

In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 73.64 (7)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H⋯O hydrogen bond generates an S(7) motif while in the crystal, N-H⋯O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains running along the b axis.

The title mol-ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O-H⋯(O,O) hydrogen bond, with the intra-molecular component to a nitro O atom and the inter-molecular component to a keto O atom, the latter resulting in chains along [20]. A C-H⋯O inter-action reinforces the packing.

The title compound, C32H30N4O2S4, consists of two Schiff base moieties, namely two S-benzyl-β-N-(2-hy-droxy-phenyl-ethyl-idene)di-thio-carbazate groups, which are connected through an S-S single bond. These two moieties are twisted with respect to each other, with a dihedral angle of 87.88 (4)° between the S2C=N planes. A bifurcated intra-molecular O-H⋯(N,S) hydrogen bond is observed in each mo...

The title compound, C(13)H(12)N(2)O(3), has an E configuration with respect to the C=N bond: the conformation is stabilized by an intramolecular O-H⋯N hydrogen bond. In the crystal, an N-H⋯O interaction links the molecules into a C(4) chain along [100].