In the crystal structure of the title compound, C(6)H(16)N(+)·C(34)H(52)O(2)PS(2) (-) or [(CH(3)CH(2))(3)NH](+)·[C(34)H(52)O(2)PS(2)](-), the cation and anion are paired via weak, inter-molecular, bifurcated N-H⋯(S,S) hydrogen bonds. The cholesteryl units form an alternating (herringbone) motif as well as an infinitely stacked layered structure along the b axis. The P-S bond lengths [1.975 (2) ...

In the title compound, C12H8Cl2N2O4S, the N-C bond in the C-SO2-NH-C segment has gauche torsions with respect to the S=O bonds. Further, the N-H bond is syn to the ortho-nitro group in the sulfonyl benzene ring and also syn to both the ortho- and meta-Cl atoms in the aniline ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 61.15 (18)°. The dihedral angle between the planes...

In the title mol-ecule, C(12)H(13)N(5)O(2)S, a bifurcated intra-molecular N-H⋯O(O) hydrogen bond forms two S(6) ring motifs. The benzene ring forms a dihedral angle of 14.36 (11)° with the pyrazole ring. In the crystal, pairs of N-H⋯S hydrogen bonds form centrosymmetric dimers, generating R(2) (2)(8) ring motifs, which stack along the b axis.

The title compound, C(17)H(21)N(3)O(3), has a Z configuration about the N=N double bond. The molecular conformation is stabilized by intramolecular N-H⋯O and O-H⋯N hydrogen bonds.

Various ab initio calculations using the density-functional (DFT), the second order Möller-Plesset perturbation (MP2) and self-consistent reaction field (SCRF) theories were performed on thirteen theoretically possible inositol stereoisomers. Gas phase calculations reveal that the myo- and neo-isomers of inositol (bearing one and two axial hydroxyl groups, respectively) are marginally more stab...

The crystal structure of the title salt, [Fe(C5H5)(C8H13N)](HC2O4), consists of discrete (ferrocenylmeth-yl)di-methyl-ammonium cations and hydrogen oxalate anions. The anions are connected through a strong O-H⋯O hydrogen bond, forming linear chains running parallel to [100]. The cations are linked to the anions through bifurcated N-H⋯(O,O') hydrogen bonds. Weak C-H⋯π inter-actions between neigh...

In the title compound, C12H8Cl2N2O4S, the C-S-N-C torsion angle is 49.34 (18)° and the dihedral angle between the benzene rings is 71.92 (10)°. The amide H atom exhibits bifurcated hydrogen bonding. The N-H bond is syn to the ortho-nitro group enabling the formation of an S(7) loop. In the crystal, pairs of N-H⋯O(S) hydrogen bonds link the mol-ecules into inversion dimers via R2(2)(8) rings.

A (1) (TS) J F,H(O) coupling pathway, dictated by a hydrogen bond, in some 2-fluorobenzoic acids has been observed, while such an interaction does not occur in 2-fluorophenol. Thus, this work reports the conformational analysis of 2-fluorophenylboronic acid (1), in order to evaluate a possible intramolecular OH∙∙∙F hydrogen bond in comparison to an nF→pB interaction, which mimics the quantum nF...

The title compound, C18H20N2O3S, exists as the phenol-imine form in the crystal and there are bifurcated intra-molecular O-H⋯(N/O) hydrogen bonds present. The conformation about the C=N bond is anti (1E); the C=N imine bond length is 1.287 (4) Å and the C=N-C angle is 122.5 (3)°. In the tetrahydrothienopyridine moiety, the six-membered ring has a flattened-boat conformation. In the crystal, mol...

The title compound, C(10)H(12)N(2)O(4), adopts a trans configuration with respect to the C=N bond. The hydrazinecarboxyl-ate group is twisted from the benzene ring by 6.62 (5)° and an intramolecular O-H⋯O hydrogen bond occurs. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to (100) by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. In addition, weak C-H⋯π inter-a...