In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide mol-ecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water mol-ecule acts as an acceptor, forming an N-H⋯O hydrogen bond supported by two C-H⋯O contacts. It also acts as a donor, forming bifurcated O-H⋯(O...

The mol-ecule of the title benzohydrazide derivative, C(15)H(14)N(2)O(4), is twisted and exists in a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene rings is 56.86 (9)° and the C atom of the meth-oxy group deviates slightly [C-O-C-C = -10.4 (3)°] from its attached benzene ring. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the c...

The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-tri-nitro-phenolate-1H-pyrazole (1/1)], H(C3H4N2)2 (+)·C6H2N3O7 (-), consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N-H⋯N hydrogen bond is disordered over both symmetry-unique pyrazole mol-ecules with occupancies of 0.52 (5) and 0.48 (5...

In the title compound, C(14)H(20)N(2)S(2), the 1,3,5-thia-diazinane-2-thione ring adopts an envelope conformation. The S=C bond length is 1.6776 (15) Å, whereas the S-C bond lengths are 1.7470 (15) and 1.8479 (17) Å. The intramolecular C-H⋯S hydrogen bond between the thione and the benzyl units along with the C-H⋯π interaction between the butyl group and the centroid of the benzene ring may be ...

The divergent behaviour of 3-alkynylindole-2-carboxamides, under palladium catalysed conditions and phase-transfer catalytic conditions, is described. Thus, palladium catalysed intramolecular C-N and C-C bond formation in a single step by C-H activation involving 3-alkynylindole-2-carboxamides and leading to pyrrolodiindolones in high yields is developed. In contrast, using the same precursors,...

The title compound, C 6 H 8 N 2 O 4 , a new derivative of isoxazole, has been synthesized and structurally characterized. crystal structure shows the molecule to be almost planar (r.m.s. deviation for non-hydrogen atoms = 0.029 Å), this conformation being supported by an intramolecular N—H...O hydrogen bond. In extended structure, molecules are linked bonds into chains propagating along [010].

In the title Schiff base, C(21)H(25)F(2)NO, the dihedral angle between the aromatic rings is 27.90(5)° and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal, the molecules are linked by C-H⋯O, C-H⋯N and C-H⋯F interactions.

In the title mol-ecule, C(16)H(16)O(3), the ring system is planar and an intramolecular hydrogen bond is present. The mol-ecular packing is dominated by an inter-molecular hydrogen bond and by π-stacking inter-actions [inter-planar separation 3.8012 Å].

Esters of glycine, alanine and valine are investigated by FTIR and Raman spectroscopy in supersonic jets as gas phase model systems for the neutral peptide N-terminus. The NH-stretching vibrations exhibit very large temperature- and substitution-dependent intensity anomalies which are related to weak, bifurcated intramolecular hydrogen bonds to the carbonyl group. Comparison to theory is only s...

The title compound, C(23)H(16)N(2)OS, is not planar, the phenyl ring of the benzoyl group making a dihedral of 77.61 (7)° with the benzothio-phene system ring. The benzothio-phene system and the remaining phenyl ring make an angle of 12.71 (13)°. The conformation around the imine functions is E for the C=N bond towards the benzothio-phene system and Z for the C=N bond towards the benzoyl group....