In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.008 Å] and the 4-methyl-phenyl ring is 77.29 (4)°. In the crystal, mol-ecules are linked by π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.743 (2) Å]. The mol-ecules are stacked along the a-axis direction. In addition, pairs of C-H⋯O hydrogen bonds are observed between inversion-related dimers: these generate R 2 (2)(12) loops.
In the title compound, C18H18O6, the biphenyl moiety is twisted with a dihedral angle of 29.11 (10)°. The carbometh-oxy groups form C-C-C-O torsion angles of -18.3 (3) and -27.7 (3)° with the attached rings, as a result of steric hindrances from the nearby meth-oxy groups. In the absence of stacking inter-actions and with no H⋯O contacts shorter than 2.7 Å, the packing is dominated by weaker van der Waals inter-actions.
In the cation of the title solvated mol-ecular salt, C12H14ClN4 (+)·C14H8F3O2S(-)·C2H6OS [systematic name of the cation: 2,4-di-amino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chloro-phenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.5 (5)°. Disorder was modelled for the dimethyl sulfoxide solvent mol-ecule over two set of sites in a 0.7487 (13):0.2513 (13) ratio. In the crystal, the cations are linked by inversion-generated pairs of N-H⋯N hydrogen bonds, with an R 2 (2)(8) graph-set motif. The cation donates two N-H⋯O hydrogen bonds to the anion, also generating an R 2 (2)(8) loop. These inter-actions, along with cation-solvent N-H⋯O hydrogen bonds, and cation-anion C-H⋯F, solvent-anion C-H⋯O and C-H⋯F inter-actions, result in a three-dimensional network.
The asymmetric unit of the title compound, C18H15ClTe, contains two mol-ecules which are in inverted orientations. The compound displays a tetra-hedral geometry around the Te atom in spite of there being five electron domains. This is attributed to the fact that the lone pair is not sterically active. The dihedral angles between the three phenyl rings are 76.51 (16)/73.75 (16)/71.06 (17) and 78.60 (17)/77.67 (16)/79.11 (16)° in the two mol-ecules. The crystal packing features eight C-H⋯π inter-actions.
In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzo-furan ring system and the methyl-phenyl ring is 14.50 (4)°. The centroid-centroid distances between the benzene and the methyl-phenyl rings are 3.827 (2) and 3.741 (2) Å, while the centroid-centroid distance between the furan and methyl-phenyl rings is 3.843 (2) Å. These distances indicate π-π inter-actions; on the other hand, the inter-planar angles between the benzene and methyl-phenyl rings, and between the furan and methyl-phenyl rings are 13.89 (4) and 15.53 (4)°, respectively. In the crystal, the mol-ecules stack along the a-axis direction.
The title compound, (C6H14N)2[Sn(C6H5)2Cl4], contains cyclo-hexyl-ammonium cations in general positions and a stannate(IV) anion that is located on a twofold rotation axis. The Sn(IV) atom in the complex anion is surrounded by four Cl(-) ligands and two trans-phenyl groups in a distorted octa-hedral configuration. The anions are connected with the cations through N-H⋯Cl hydrogen bonds. Every cation is involved in three N-H⋯Cl bonds to the chloride ligands of three different anions, and each chloride ligand is linked to two cations. This arrangement leads to a layered structure parallel to (010).
In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluoro-phenyl ring is 76.11 (5)°. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H⋯O hydrogen bonds. The crystal structure also exhibits weak π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.820 (2) Å].
In the title compound, C10H10N2O6·H2O, the carb-oxy-lic acid group and the nitro group are essentially coplanar with the benzene ring [maximum deviation = 0.0264 (9) Å], while the amide group is oriented at a dihedral angle of 9.22 (5)° with respect to the benzene ring. In the crystal, classical O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions link the organic mol-ecules and water mol-ecules of crystallization into a three-dimensional supra-molecular architecture.
In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloro-form solvate mol-ecules connect the pyrimidine mol-ecules into chains along [101] through weak C-H⋯N and C-H⋯Cl hydrogen-bond inter-actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.
The title compound, [NH3(CH2)4NH3](2+)·SiF6 (2-), is a hybrid built from an organic butane-1,4-di-ammonium dication linked to a hexa-fluoro-silicate mineral anion. Both ions posses inversion symmetry. In the anion the Si atom is located on an inversion center, while in the cation the center of inversion is situated at the mid-point of the central -CH2-CH2- bond. The Si atom is surrounded by six F atoms, forming a slightly distorted SiF6 (2-) octa-hedron. These octa-hedra are linked to the organic cations through N-H⋯F hydrogen bonds, forming a three-dimensional network.
In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 76.99 (4)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains along the b-axis direction. These chains are linked by π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.976 (2) Å].
In the title compound, C16H11NO2·C5H9NO, the dihedral angles between the male-imide and phenyl rings are 34.7 (2) and 64.8 (2)°. In the crystal, the 2,3-di-phenyl-male-imide and 1-methyl-pyrrolidin-2-one mol-ecules form centrosymmetrical dimers via pairs of strong N-H⋯O hydrogen bonds and π-π stacking inter-actions between the two neighboring male-imide rings [centroid-centroid distance = 3.495 (2) Å]. The dimers are further linked by weak C-H⋯O and C-H⋯π hydrogen bonds into a three-dimensional framework.
The title compound, dirubidium dimanganese(II) tris-(tetra-oxo-molyb-date), Rb2Mn2(MoO4)3, was prepared by solid-state reactions. The structure can be described as being composed of MnO6 octa-hedra sharing corners with MoO4 tetra-hedra. The three-dimensional framework contains cavities in which the rubidium ions are located. The Rb(+) cations are within distorted nine- and 12-vertex polyhedra. The pairs of different Mn(2+) and Rb(+) cations are each located on threefold rotation axes.. Rb2Mn2(MoO4)3 is isotypic with compounds of the Cs2 M 2Mo3O12 (M = Ni, Fe) family. A comparative structural description is provided between the structure of the title compound and those of related phases. Differences with structures such as alluaudite are discussed.
In the title compound, C17H15BrO2S, the 4-methyl-benzene ring makes a dihedral angle of 89.01 (7)° with the mean plane [r.m.s. deviation = 0.013 (2) Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked into supra-molecular layers that stack along [001] by weak C-H⋯O, C-H⋯π and C-S⋯π [3.364 (2) Å] inter-actions.
In the title compound, C22H24O2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl moieties is 86.48 (4)°. In the crystal, mol-ecules are connected along the a-axis direction by two different inversion-generated pairs of C-H⋯π and C-H⋯O inter-actions.
The title compound, lithium/sodium iron(III) bis-[ortho-molyb-date(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6 octa-hedron, a distorted MoO6 octa-hedron and an MoO4 tetra-hedron sharing corners. The crystal structure is composed of infinite double MoFeO11 chains along the b-axis direction linked by corner-sharing to MoO4 tetra-hedra so as to form Fe2Mo3O19 ribbons. The cohesion between ribbons via mixed Mo-O-Fe bridges leads to layers arranged parallel to the bc plane. Adjacent layers are linked by corners shared between MoO4 tetra-hedra of one layer and FeO6 octa-hedra of the other layer. The Na(+) and Li(+) ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made with AFe(MoO4)2 (A = Li, Na, K and Cs) structures.
The title compound, C20H28O3, known as 'trichodermaerin' [systematic name: (4E)-4,9,15,16,16-penta-methyl-6-oxa-tetra-cyclo-[10.3.1.0(1,10).0(5,9)]hexa-dec-4-ene-7,13-dione], is a diterpene lactone which was isolated from Trichoderma asperellum. The structure has a tetra-cycic 6-5-7-5 ring system, with the cyclo-hexa-none ring adopting a twisted half-chair conformation and the cyclo-pentane ring adopting a half-chair conformation, whereas the cyclo-heptene and tetra-hydro-furan-anone rings are in chair and envelope (with the methyl-substituted C atom as the flap) conformations, respectively. The three-dimensional architecture is stabilized by C-H⋯O inter-actions.
The whole molecule of the title compound, C17H10N4O5·2H2O, is generated by twofold rotation symmetry and it crystallized as a dihydrate. The planes of the phthalimide moieties and the urea unit are almost normal to one another, with a dihedral angle of 78.62 (9)°. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional framework structure. The crystal packing also features C—H...O hydrogen bonds and slipped parallel π–π interactions [centroid–centroid distance = 3.6746 (15) Å] involving the benzene rings of neighbouring phthalimide moieties.
In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in the ortho position is twisted [O—N—C—C = 138.28 (13)°]. The molecules associate via C—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].
