Acta crystallographica. Section E, Structure reports online最新文献

The asymmetric unit of the title salt, [C22H20O2P]2 (+)[TeI6](2-), consists of one triphenyl(5-oxooxolan-3-yl)phosphanium cation and one half of a hexa-iodido-tellurate(IV) dianion. The Te atom is located at an inversion centre and is octa-hedrally coordinated by six I atoms. The Te-I bond lengths range from 2.9255 (9) to 2.9439 (10) Å. The I-Te-I angles between cis-iodide ligands are in the range 87.85 (3)-92.15 (3)°. In the crystal, the components are connected by C-H⋯I inter-actions. In the final refinement of the compound a void of 32 Å(3) was observed.

In the title thia-zolidine-4-one derivative, C20H21NO6S, the central thia-zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287 Å) and forms a dihedral angle of 88.25 (5)° with the meth-oxy-substituted benzene ring and 74.21 (4)° with the 1,3-benzodioxole ring. The heterocyclic ring (with two O atoms) fused to benzene ring adopts an envelope conformation with the non-ring-junction C atom as the flap. In the crystal, the mol-ecules are linked into chains along [001] through weak C-H⋯O inter-actions, forming R (4) 4(28) edge-fused rings.

The title compound, C21H18N2O4, obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo-[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

The absolute configuration of the title mol-ecular salt, C15H18N(+)·C8H6ClO3 (-), has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethyl-ammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloro-mandelate anions are linked via O-H⋯O hydrogen bonds and bridged by N-H⋯O hydrogen bonds involving the cations, forming chains along [010]. There are C-H⋯O hydrogen bonds present within the chains, which are linked via C-H⋯π inter-actions and a short Cl⋯Cl inter-action [3.193 (1) Å] forming a three-dimensional framework. The structure was refined as a two-component inversion twin giving a Flack parameter of 0.05 (4).

The title salt, 2C3H8N(+)·C2O4 (2-), crystallized with six independent allyl-ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2 planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N-C-C-C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized by gauche arrangements, with the N-C-C-C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allyl-ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

In the title compound, C25H36O6, the two central cyclo-hexane rings exhibit a chair conformation. The terminal cyclo-hexene and cyclo-pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit-uent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into chains running parallel to the a axis.

In the title mol-ecule, C18H19BrN2O, the benzene ring is inclined to the oxa-diazole ring by 10.44 (8)°. In the crystal, C-H⋯π inter-actions link the mol-ecules in a head-to-tail fashion, forming chains extending along the c-axis direction. The chains are further connected by π-π stacking inter-actions, with centroid-centroid distances of 3.6385 (7) Å, forming layers parallel to the bc plane.

The title compounds, C9H7NO3, (1), C10H7NO5, (2), and C14H9NO5, (3), are three potentially anti-convulsant compounds. Compounds (1) and (2) are isoindoline derivatives and (3) is an iso-quinoline derivative. Compounds (2) and (3) crystallize with two independent mol-ecules (A and B) in their asymmetric units. In all three cases, the isoindoline and benzoiso-quinoline moieties are planar [r.m.s. deviations are 0.021 Å for (1), 0.04 and 0.018 Å for (2), and 0.033 and 0.041 Å for (3)]. The substituents attached to the N atom are almost perpendicular to the mean planes of the heterocycles, with dihedral angles of 89.7 (3)° for the N-O-Cmeth-yl group in (1), 71.01 (4) and 80.00 (4)° for the N-O-C(=O)O-Cmeth-yl groups in (2), and 75.62 (14) and 74.13 (4)° for the same groups in (3). In the crystal of (1), there are unusual inter-molecular C=O⋯C contacts of 2.794 (1) and 2.873 (1) Å present in mol-ecules A and B, respectively. There are also C-H⋯O hydrogen bonds and π-π inter-actions [inter-centroid distance = 3.407 (3) Å] present, forming slabs lying parallel to (001). In the crystal of (2), the A and B mol-ecules are linked by C-H⋯O hydrogen bonds, forming slabs parallel to (10-1), which are in turn linked via a number of π-π inter-actions [the most significant centroid-centroid distances are 3.4202 (7) and 3.5445 (7) Å], forming a three-dimensional structure. In the crystal of (3), the A and B mol-ecules are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure, which is consolidated by π-π inter-actions [the most significant inter-centroid distances are 3.575 (3) and 3.578 (3) Å].

In the title compound, [Zn(C18H28NO)2]·CH2Cl2, the Zn(II) atom is N,O-chelated by two crystallographically independent salicyl-aldehyde imine ligands, leading to a distorted tetra-hedral coordination sphere. The dihedral angle between the planes of the two metallacycles is 88.69 (6)°. Intra-molecular non-classical C-H⋯O hydrogen-bonding inter-actions are observed. In the crystal, the complex mol-ecules stack into columns along the a axis. Di-chloro-methane solvent mol-ecules are situated in the voids of this arrangement.

In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å]. In addition, an S⋯S [3.6584 (9) Å] contact is observed.