In the mol-ecule of the title compound, C(14)H(8)Cl(2)N(4)S, all the ring atoms in the pyrazolopyrimidine system are almost coplanar, the largest deviation from the mean plane being 0.027 (2) Å for a C atom. The conformation of the methyl-sulfanyl group is anti-periplanar, with a torsion angle of -176.7 (2)°. A weak inter-molecular C-H⋯N hydrogen bond and a Cl⋯N halogen bond [Cl⋯N = 3.196 (5) Å...

We report on the results of angle-resolved photoemission experiments on a quasi-one-dimensional halogen-bridged Ni compound [Ni(chxn)2Br]Br2 (chxn = 1R,2R-cyclohexanediamine), a one-dimensional Heisenberg system with S = 1/2 and J ∼ 3600 K, which shows a gigantic non-linear optical effect. A ”band” having about 0.5 eV energy dispersion is found in the first half of the Brillouin zone (0 ≤ kb/π ...

The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) mol-ecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3 (2) and 54.6 (2)°] formed...

This paper reports the syntheses of two new complexes, [Co(L)(H2O)2] (1) and [{Zn(L2) (μ-OAc)Zn(n-PrOH)}2] (2), from asymmetric halogen-substituted Salamo-type ligands H2L and H3L, respectively. Investigation of the crystal structure of complex 1 reveals that the complex includes one Co(II) ion, one (L1)2− unit and two coordinated water molecules. Complex 1 shows slightly distorted octahedral c...

The title compound, C(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.31 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules, and between th...

Co-crystallisation of, in particular, 4-iodotetrafluorophenol with a series of secondary and tertiary cyclic amines results in deprotonation of the phenol and formation of the corresponding ammonium phenate. Careful examination of the X-ray single-crystal structures shows that the phenate anion develops a C=O double bond and that the C-C bond lengths in the ring suggest a Meissenheimer-like del...