RESUMO
In the anion of the title compound, (C(14)H(13)N(2)S)(2)[CdBr(4)]·C(2)H(5)OH, the Cd(II) atom is in a distorted tetra-hedral environment and one of the Br atoms is disordered over three sites with site-occupancy factors of 0.828â (5), 0.106â (3) and 0.068â (4). In the crystal, inter-molecular N-Hâ¯O, C-Hâ¯O and N-Hâ¯Br inter-actions result in a two-dimensional polymeric network extending parallel to (010).
RESUMO
In the title compound, C(18)H(11)ClN(4)OS, the benzisoxazole and imidazothia-diazole rings are inclined at an angle of 23.81â (7)° with respect to each other. The imidazothia-diazole and chloro-phenyl rings make a dihedral angle of 27.34â (3)°. In the crystal, inter-molecular C-Hâ¯N inter-actions generate a chain along the c axis and C-Hâ¯O inter-actions form centrosymmetric dimers resulting in an R(2) (2)(26) graph-set motif. Moreover, the C-Hâ¯N and Sâ¯N [3.206â (4)â Å] inter-actions links the mol-ecules into R(7) ring motifs. The packing is further stabilized by π-π stacking inter-actions between the thia-diazole rings with a shortest centroid-centroid distance of 3.497â (3)â Å. In addition, C-Hâ¯π inter-actions are observed in the crystal structure.
RESUMO
In the title compound, C(10)H(12)N(2)S, one of the C atoms of the cyclo-hexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650â (3):0.350â (3) ratio. The cyclo-hexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thio-phene ring is essentially planar (r.m.s. deviation = 0.05â Å). In the crystal, N-Hâ¯N hydrogen bonds involving the amino groups result in inversion dimers with R(2) (2)(12) graph-set motif. Further N-Hâ¯N hydrogen bonds involving the amino and carbonitrile groups generate zigzag chains along the a axis.
RESUMO
In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(-), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082â Å) is substituted with a 4-methyl-sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl-sulfanylphenyl ring is 2.133â (2)°. The crystal structure is characterized by strong and highly directional inter-molecular N-Hâ¯Br hydrogen bonds involving the bromide ion. Moreover, C-Hâ¯S inter-actions result in chains of mol-ecules along the c axis. The supra-molecular assembly is further stabilized by π-π stacking inter-actions between the benzimidazole system and 4-methyl-sulfanylphenyl rings [centroid-centroid distance = 3.477â (4)â Å].
RESUMO
The asymmetric unit of the title compound, (C(14)H(13)N(2)S)(2)[CuBr(4)]·2H(2)O, contains two cations, one anion and two solvent water mol-ecules that are connected via O-Hâ¯Br, N-Hâ¯Br and N-Hâ¯O hydrogen bonds into a two-dimensional polymeric structure. The cations are arranged in a head-to-tail fashion and form stacks along [100]. The central Cu(II) atom of the anion is in a distorted tetra-hedral environment.
RESUMO
In the title compound, C(11)H(13)N(3)S, two of the C atoms of the cyclo-hexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544â (2):0.456â (2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371â (9)° between them. The thio-phene ring is essentially planar (r.m.s. deviation 0.05â Å), while the cyclo-hexene ring in both the major- and minor-occupancy conformers adopts a half-chair conformation. In the crystal structure, pairs of intermolecular N-Hâ¯N hydrogen bonds involving the amino groups result in centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(8) graph-set motif. Further, N-Hâ¯N hydrogen bonding generates a two-dimensional hydrogen-bonded network perpendicular to the ac plane and running along the diagonal of the ac plane.
RESUMO
In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025â (3) 0.015â (4)â Å, respectively, and are inclined at an angle of 23.51â (7)° with respect to each other. The planes of the imidazothia-diazole and bromo-phenyl rings are inclined at an angle of 27.34â (3)°. In the crystal, inter-molecular C-Hâ¯N inter-actions result in chains of mol-ecules along the b and c axes. Moreover, C-Hâ¯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs. The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492â (3)â Å. In addition, C-Hâ¯π inter-actions are observed in the crystal structure.
RESUMO
In the title compound, C(9)H(8)N(2)OS, the benzothio-phene ring is substituted with amino, oxo and carbonitrile groups. The thio-phene ring is essentially planar (r.m.s. deviation = 0.0003â Å), while the cyclo-hexene ring is in a half-chair conformation. In the crystal, N-Hâ¯O hydrogen bonds generate chains of mol-ecules in a zigzag pattern along the b axis. Pairs of N-Hâ¯N hydrogen bonds form centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(12) graph-set motif. In addition, rather weak N-Hâ¯S inter-actions are also present in the structure and the supra-molecular assembly is further consolidated by π-π stacking inter-actions between the benzothio-phene rings, disposed at a distance of 3.742â (3)â Å.