9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)

The title compound, C16H8N2·C6H4S4, crystallizes with the fluorene derivative placed in a general position and two half tetra­thia­fulvalene (TTF) mol­ecules, each completed to a whole mol­ecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF mol­ecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca 1.35 Å). These features indicate that no charge transfer occurs between mol­ecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking inter­actions are observed between mol­ecules

Chloridotris(penta­fluoro­benzene­thiol­ato-κS)[tris­(4-fluoro­phen­yl)phosphine-κP]osmium(IV)

The title complex, [Os(C6F5S)3Cl(C18H12F3P)], displays a trigonal-bipyramidal OsIV coordination geometry with the S atoms of three thiol­ate ligands occupying the equatorial positions. The thiol­ate penta­fluoro­phenyl substituents are all placed above the equatorial plane, forming a claw-like cavity which accommodates the chloride ligand with a normal Os—Cl bond length. The phosphine ligand trans to the chloride ligand reveals a short Os—P bond length compared to other chloride–phosphine OsIV complexes (average = 2.40 Å). This strong bonding indicates that the inductive effect of the F atoms in the phosphine does not affect significantly its basicity, compared to triphenyl­phosphine. This feature is also consistent with the known poor trans influence of Cl−. The crystal packing involves π–π contacts between inversion-related thiol­ate C6F5 rings, with a centroid–centroid separation of 3.659 (8) Å

Diallyl 5-[(4-hexyl­oxyphen­yl)imino­meth­yl]-m-phenyl­ene dicarbonate

The title mol­ecule, C27H31NO7, an imine derivative bearing both carbonate and allyl functionalities, was synthesized in the hope of obtaining a mesogenic polymerizable material. The allyl­carbonate arms are fully disordered over two sets of sites, reflecting a large degree of rotational freedom about σ bonds [occupancies: 0.665 (9)/0.335 (9) for one substituent, 0.564 (9)/0.436 (9) for the other]. In contrast, the hexyl chain is ordered, and presents the common all-trans extended conformation. The benzene rings connected via the imine group make a dihedral angle of 9.64 (11)°. In the crystal, the Y-shaped mol­ecules are weakly associated into centrosymmetric dimers through pairs of C—H⋯O(hex­yl) contacts. The resulting layers of dimers, approximately parallel to (25), are closely packed in the crystal, allowing π⋯π inter­actions between benzene rings of neighboring layers: the separation between the centroid of the benzene ring substituted by allyl­carbonate and the centroid of the benzene ring bearing the hex­yloxy group in the adjacent layer is 3.895 (1) Å

(S)-(+)-N-Benzyl­idene-1-(1-naphth­yl)ethyl­amine

In the title chiral aldimine, C19H17N, the azomethine group is not fully conjugated with the phenyl substituent: the dihedral angle between phenyl and C*—N=C mean planes is ϕ3 = 23.0 (2)°. Compared with the earlier DFT-B3LYP/6–31 G(d) computations from the literature, the C=N—C*—C(naph­thyl) torsion angle, found at ϕ2 = −118.0 (2)° in the X-ray structure, does not match the angle calculated for the potential minimum energy at ϕ2 = 0°. However, this angle is close to the second potential energy minimum at ϕ2 = −120° which is ca. 8.5 kJ mol−1 above the global energy minimum. Thus, the reported X-ray structure corresponds to the second most likely (according to DFT) conformer, allowing the existence of other polymorphs to be anti­cipated

2,2′-(Propane-1,3-di­yl)bis­(2H-indazole)

The title mol­ecule, C17H16N4, is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C3 chain, and the mol­ecule is placed on a general position, in contrast to the analogous compound with a central C2 ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol­ecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol­ecule. In the crystal, mol­ecules inter­act weakly through π–π contacts between inversion-related pyrazole rings, with a centroid–centroid separation of 3.746 (2) Å

(–)-(S)-N,N′-Bis[1-(1-naphth­yl)eth­yl]­oxalamide

The title mol­ecule, C26H24N2O2, displays C 2 symmetry, with the mol­ecule located on a twofold axis perpendicular to the plane of the oxalamide unit –NH—CO—CO—NH–. The oxalamide core deviates from planarity, as reflected by the O=C—C=O and N—C—C—N torsion angles of 164.3 (5) and 163.2 (5)°, respectively. The naphthyl groups are oriented toward the same face of the oxalamide mean plane and make a dihedral angle of 43.76 (8)°. This conformation is suitable for the formation of inter­molecular N—H⋯O hydrogen bonds, giving noncentrosymmetric dimers incorporating R 2 2(10) ring motifs. These nonbonding inter­actions propagate along the 61 screw axis normal to the mol­ecular twofold axis, resulting in a single-stranded right-handed helix parallel to [001]. In the crystal, Δ helices are arranged side-by-side and inter­act through π–π contacts between naphthyl groups. The shortest centroid–centroid separation between inter­acting benzene rings is 3.623 (4) Å

Synthesis and Characterization of bis[(2-ethyl-5-methyl-imidazo-4-yl)methyl]Sulfide and Its Coordination Behavior toward Cu(II) as a Possible Approach of a Copper Site Type I

The synthesis and characterization of a novel ligand, bis[(2-ethyl-5-methyl-imidazo-4-yl)methyl]sulfide (bemims), as well as a bemims-containing copper(II) coordination complex are described. In this complex, [Cu(bemims)X2] with X = NO3−, bemims acts as a tridentate ligand and two monodentate nitrate ions complete the coordination sphere. Both imidazole N atoms and the thioether S atom of bemims participate in coordination. The Cu(II) ion is five-coordinated with a slightly distorted square-pyramidal geometry (τ = .09). Electrochemical studies and spectroscopic data for this complex are compared with some blue copper proteins in order to assess its ability to mimic the copper center of type I copper proteins

Allyl 4-hydroxy­phenyl carbonate

The title mol­ecule, C10H10O4, is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–allyl group, although both disordered parts present the expected anti­clinal conformation, with O—CH2—CH=CH2 torsion angles of −111 (2) and 119.1 (4)°. The crystal structure is based on chains parallel to [010], formed by O⋯H—O hydrogen bonds involving hydroxyl and carbonyl groups as donors and acceptors, respectively. The mol­ecular packing is further stabilized by two weak C—H⋯π contacts from the benzene ring of the asymmetric unit with two benzene rings of neighboring mol­ecules

Trimesic acid dimethyl sulfoxide solvate: space group revision

The structure of the title solvate, C9H6O6·C2H6OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ▶). Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P21. The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P21/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are inter­connected through strong O—H⋯O hydrogen bonds, forming a two-dimensional supra­molecular network within each layer. The donor groups are the hydroxyls of the trimesic acid mol­ecules, while the acceptors are the carbonyl or the sulfoxide O atoms

1,3-Bis{(+)-(S)-[1-(1-naphth­yl)eth­yl]imino­meth­yl}benzene dichloro­methane solvate

In the title compound, C32H28N2·CH2Cl2, the complete Schiff base and solvent molecules are both generated by crystallographic twofold axes, with the two C atoms of the former and the C atom of the latter lying on the rotation axis. The central benzene ring is substituted with two chiral groups including imine functionalities, with the common E configuration. The dihedral angle between the central benzene ring and the terminal naphthalene ring is 45.42 (9)° and that between the two naphthalene rings is 89.16 (8)°. The conformation of the Schiff base allows solvent mol­ecules to fill the voids in the crystal, affording a stable 1:1 solvate, but the solvent inter­acts poorly with the Schiff base, as reflected by its rather high displacement parameters