In the title mol-ecule, C(5)H(7)N(3)OS, all the non-hydrogen atoms except the O atom are almost planar [maximum least squares plane deviation = 0.035 (3) Å for the N atom]. The crystal packing is stabilized by inter-molecular O-H⋯N hydrogen bonds, which link the mol-ecules into inversion dimers.

The theorem of matching proton affinities (PA) has been widely used in the analysis of hydrogen bonds. However, most experimental and theoretical investigations have to cope with the problem that the variation of the PA of one partner in the hydrogen bond severely affects the properties of the interface between both molecules. The B3LYP/d95+(d,p) analysis of two hydrogen bonds coupled by a 5-me...

In the title co-crystal, [Mo(C(14)H(9)ClN(2)O(4))O(2)(CH(3)OH)]·C(10)H(8)N(2), the deprotonated Schiff base O,N,O'-chelates to the Mo(VI) atom, the three atoms involved in chelation comprising the fac sites of the octa-hedron surrounding the methanol-coordinated metal atom. The methanol mol-ecule forms an O-H⋯N hydrogen bond to an N atom of the 4,4'-bipyridine solvent mol-ecule; the hy-droxy gr...

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...

The title compound, C(15)H(17)N(3), was prepared by reaction of benzoyl-pyridine and hexahydropyrimidine. The 1,3-diazinane ring adopts a chair conformation with one N-H group axial and the other equatorial. The axial N-H group participates in very weak hydrogen bonding to the lone pair of electrons of the N atom with the equatorial H atom producing a very weakly hydrogen-bonded dimer. The pyri...

The title centrosymmetric mononuclear complex, [Ni(C(4)H(6)NO(3))(2)(H(2)O)(2)], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277-m278]. The Ni(II) atom, lying on an inversion center, is six-coordinated by two carboxyl-ate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxy-imino-butanoate ligands and two axial water mol-e...

In the title compound, C29H23N3O4, the 2-methylpyrrolidine ring adopts a twist conformation on the N-C bond involving the spiro C atom, while the hydropyran ring adopts an envelope conformation with the methine C atom bonded to the O atom as the flap. The mean plane of the indoline-2-one ring system is almost perpendicular to the mean plane of the pyrrolidine ring, making a dihedral angle of 89...

In the complex cation of the binuclear solvated title salt, [Pt2F(SbF6)2(C8H12)2]SbF6 0.75HF, an F atom bridges the two platinum(II) atoms with a bond angle of 123.3 (2) . The corresponding Pt—F bond lengths are in the range of other fluorine-bridged binuclear platinum(II) complexes. Two of the three SbF6 anions each coordinate with one F atom to one platinum(II) atom. Including the -bound cycl...

In the title compound, C(18)H(13)BrN(4)S·C(3)H(7)NO, the thio-pyran ring and the adjacent six-numbered ring adopt distorted boat conformations. The mol-ecules, lying about inversion centers, form hydrogen-bonded dimers involving one of the H atoms on the amino group with the N atom of a cyano group of an adjacent mol-ecule, resulting in a 12-membered ring system [R(2) (2)(12) ring motif]. The o...

Photocatalysis is a method of choice for the generation reactive intermediates under mild conditions. This Review collects recent examples exploiting this manifold to generate highly aggressive halogen radicals activate C(sp3)?H bonds via Hydrogen Atom Transfer (HAT) synthetic purposes. Available strategies influence site-selectivity hydrogen atom transfer step have also been discussed.