Acta Crystallographica Section E: Crystallographic Communications最新文献

The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3- di­hydroxy­propano­ate monohydrate (ortho­rhom­bic crystal system, space group P2₁2₁2₁, Z = 4) features an intricate two-dimensional hydrogen-bond network.

The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate, C₉H₁₂N⁺·C₄H₅O₆⁻·H₂O, at 115 K shows ortho­rhom­bic symmetry (space group P2₁2₁2₁). The hydrogen tartrate anions and solvent water mol­ecules form an intricate diperiodic O—H⋯O hydrogen-bond network parallel to (001). The tetra­hydro­isoquinolinium cations are tethered to the anionic hydrogen-bonded layers through N—H⋯O hydrogen bonds. The crystal packing in the third direction is achieved through van der Waals contacts between the hydro­carbon tails of the tetra­hydro­isoquinolinium cations, resulting in hydro­phobic and hydro­philic regions in the crystal structure.

In the title compound, the di­hydro­quinoxaline units are both essentially planar and the dihedral angle between their mean planes is 64.82 (2)°. In the crystal, C—H⋯O hydrogen bonds form chains along the b-axis direction which are joined by π-stacking and C—H⋯π(ring) inter­actions into the full three-dimensional network structure.

In the title compound, C₃₁H₂₄N₄O₂, the di­hydro­quinoxaline units are both essentially planar with the dihedral angle between their mean planes being 64.82 (4)°. The attached phenyl rings differ significantly in their rotational orientations with respect to the di­hydro­quinoxaline planes. In the crystal, one set of C—H⋯O hydrogen bonds form chains along the b-axis direction, which are connected in pairs by a second set of C—H⋯O hydrogen bonds. Two sets of π-stacking inter­actions and C—H⋯π(ring) inter­actions join the double chains into the final three-dimensional structure.

In the crystal, the mol­ecules are connected into dimers by C—H⋯O hydrogen bonds with

The title mol­ecule, C₁₈H₂₆O₄, consists of two symmetrical halves related by the inversion centre at the mid-point of the central –C—C– bond. The hexene ring adopts an envelope conformation. In the crystal, the mol­ecules are connected into dimers by C—H⋯O hydrogen bonds with R ² ₂(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, H⋯H (68.2%) and O⋯H/H⋯O (25.9%) inter­actions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015#). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported mol­ecular weight and density.

This type of heterometallic and heteroleptic single cubane cluster represents a typical example within the Mo–Fe–S cluster family, which may be a good reference for understanding the structure and function of the nitro­genase FeMo cofactor.

The title compound, tetra­ethyl­ammonium tri­azido­tri-μ₃-sulfido-[μ₃-(tri­methyl­sil­yl)aza­nediido][tris­(3,5-di­methyl­pyrazol-1-yl)hydro­borato]triiron(+2.33)molybdenum(IV), (C₈H₂₀N)[Fe₃MoS₃(C₁₅H₂₂BN₆)(C₃H₉NSi)(N₃)₃] or (Et₄N)[(Tp*)MoFe₃S₃(μ₃-NSiMe₃)(N₃)₃] [Tp* = tris­(3,5-di­methyl­pyrazol-1-yl)hydro­bor­ate(1−)], crystallizes as needle-like black crystals in space group P

In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an

In the title compound, C₆H₄BrF₃N₄O₂, the oxa­diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an R ² ₂(8) motif. The dimers are linked into layers parallel to the (10

In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect the mol­ecules by forming layers parallel to the (010) plane.

In the title compound, C₁₉H₁₇NO₅S, the cyclo­hexene ring adopts nearly an envelope conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect the mol­ecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) inter­actions are the most significant contributors to the crystal packing.

The title multi-component crystal, [Cu(NH₃)₅]Cl₂·CO(NH₂)₂, was synthesized from a deep eutectic solvent to yield an unusual penta­amine­copper(II) complex. Hydrogen bonding takes place between chloride ions and both the penta­amine­copper ions and urea mol­ecules.

The reaction of copper(II) oxalate and hexa­methyl­ene­tetra­mine in a deep eutectic solvent made of urea and choline chloride produced crystals of penta­amine­copper(II) dichloride–urea (1/1), [Cu(NH₃)₅]Cl₂·CO(NH₂)₂, which was characterized by single-crystal X-ray diffraction. The complex contains discrete penta­amine­copper(II) units in a square-based pyramidal geometry. The overall structure of the multi-component crystal is dictated by hydrogen bonding between urea mol­ecules and amine H atoms with chloride anions.

The crystal structure of title compound consists of discrete complexes in which the Co^II cations are octa­hedrally coordinated to two terminally N-bonded thio­cyanate anions and four 4-methyl­pyridine coligands and represents a new polymorphic modification of Co(NCS)₂(4-methyl­pyridine)₄, which is already reported in the literature.

The title compound, [Co(NCS)₂(C₆H₇N)₄] or Co(NCS)₂(4-methyl­pyridine)₄, was prepared by the reaction of Co(NCS)₂ with 4-methyl­pyridine in water and is isotypic to one of the polymorphs of Ni(NCS)₂(4-methyl­pyridine)₄ [Kerr & Williams (1977#). Acta Cryst. B33, 3589–3592 and Soldatov et al. (2004#). Cryst. Growth Des. 4, 1185–1194]. Comparison of the experimental X-ray powder pattern with that calculated from the single-crystal data proves that a pure phase has been obtained. The asymmetric unit consists of one Co^II cation, two crystallographically independent thio­cyanate anions and four independent 4-meth­yl­pyridine ligands, all located in general positions. The Co^II cations are sixfold coordinated to two terminally N-bonded thio­cyanate anions and four 4-methyl­pyridine coligands within slightly distorted octa­hedra. Between the complexes, a number of weak C—H⋯N and C—H⋯S contacts are found. This structure represent a polymorphic modification of Co(NCS)₂(4-methyl­pyridine)₄ already reported in the CCD [Harris et al. (2003#). NASA Technical Reports, 211890]. In contrast to this form, the crystal structure of the new polymorph shows a denser packing, indicating that it is thermodynamically stable at least at low temperatures. Thermogravimetric and differential thermoanalysis reveal that the title compound starts to decomposes at about 100°C and that the coligands are removed in separate steps without any sign of a polymorphic transition before decomposition.

The 2:1 supra­molecular complex between a tetra­quinoxaline-based cavitand and benzo­nitrile as a guest has been studied through X-ray diffraction analysis. One of the benzo­nitrile mol­ecules in engulfed inside the macrocycle.

The structural characterization is reported of the supra­molecular complex between the tetra­quinoxaline-based cavitand 2,8,14,20-tetra­hexyl-6,10:12,16:18,22:24,4-O,O′-tetra­kis­(quinoxaline-2,3-di­yl)calix[4]resorcinarene (QxCav) with benzo­nitrile. The complex, of general formula C₈₄H₈₀N₈O₈·2C₇H₅N, crystallizes in the space group P

The synthesis and crystal structures of three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives are reported.

Three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives, namely, [4-meth­oxy-5-(2-meth­oxy-2-oxoeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinolin-8-olato)platinum(II), [Pt(C₁₃H₁₅O₄)(C₉H₆NO)], (I), [4-meth­oxy-5-(2-oxo-2-propoxyeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinoline-2-carboxy­l­ato)platinum(II), [Pt(C₁₅H₁₉O₄)(C₁₀H₆NO₂)], (II), and chlorido­[4-meth­oxy-5-(2-oxo-2-propoxyeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinoline)­plat­inum(II), [Pt(C₁₅H₁₉O₄)Cl(C₉H₇N)], (III), were synthesized and structurally characterized by IR and ¹H NMR spectroscopy, and by single-crystal X-ray diffraction. The results showed that the cyclo­platinated aryl­olefin coordinates with Pt^II via the carbon atom of the phenyl ring and the C=C_olefinic group. The deprotonated 8-hy­droxy­quinoline (C₉H₆NO) and quinoline-2-carb­oxy­lic acid (C₁₀H₆NO₂) coordinate with the Pt^II atom via the N and O atoms in complexes (I) and (II) while the quinoline (C₉H₇N) coordinates via the N atom in (III). Moreover, the coordinating N atom in complexes (I)–(III) is in the cis position compared to the C=C_olefinic group. The crystal packing is characterized by C—H⋯π, C—H⋯O [for (II) and (III)], C—H⋯Cl [for (III) and π–π [for (I)] inter­actions.