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A new mannich base 1-(morpholino(phenyl)methyl)pyrrolidine-2,5-dione formed by the direct condensation of morpholine, succinimide and benzaldehyde has been synthesized. The structure of this mannich base has been elucidated on the basis of micro elemental analysis, IR, 1H NMR, 13C NMR, UV–Visible Techniques and Mass. The crystal structure of the title compound C15 H18 N2 O3 was determined. It crystallizes in the triclinic system, space group P − 1, with a = 8.8122(13) Å, b = 9.2794(14) Å, c = 9.814 (3) Å, α = 107.154(9)°, β = 97.936(9)°, γ = 110.197(7)°, V = 693.4(2) Å3, D x = 1.314 Mg/m3. The structure was solved by the full-matrix least squares on F2 and had a refined R value of 0.0486 for 8567 observed reflections. The six membered heterocyclic ring of the morpholino moiety adopts a chair conformation. The crystal structure is stabilized by weak intermolecular C–H···O interactions that link the molecules into inversion dimers. This paper describes the spectroscopic and crystallographic studies of the title compound which is essential in ascertaining the structure of this new compound. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C34H25NO3, the dihydropyrone ring is in a half-chair conformation and the five-membered heterocyclic ring is in an envelope conformation. [ABSTRACT FROM AUTHOR]

Vanadaborane, [(CpV)2(B2H6)2] (Cp = η5-C5H5), 1 reacts with elemental sulfur to afford the hexasulfide cluster [(CpV)2S4(μ-η1-S2)], 2 in high yield. Compound 2 is a notable example of an organovanadium sulfide cluster in which the [V2S4] atoms define a bicapped tetrahedron framework, with one μ-η1-S2 ligand bridged the two (CpV) moieties. The sulfur atom in [V2S4] core in 2 is a four-skeletal-electron donor isoelectronic with the BH3 unit; therefore, the replacement of boron hydride in 1 by four sulfur atoms necessitates the formation of a bicapped tetrahedron [V2S4] framework. Furthermore, this is the only reported example of a bimetallic hexasulfide cluster containing vanadium. Pyrolysis of 1 with bis-chalcogenide ligands such as Ph2S2 and Bz2Se2 (Bz = PhCH2), results in the formation of substituted vanadahexaboranes [(CpV)2B4H12-xLx], 3-5 (3: L = SPh: x = 3; 4: L = SPh, x = 2; 5: L = SeBz: x = 1) in modest yield. All these new compounds have been characterized by mass, 1H, 11B, 13C NMR spectroscopy, and elemental analysis, and the structural types were unequivocally established by crystallographic analysis of compounds 2-5. [ABSTRACT FROM AUTHOR]

Abstract: Reaction of (η5-C5Me5)MoCl4 with 6-fold excess of LiBH4·thf followed by pyrolysis with BHCl2·SMe2 in toluene at 90°C yielded known (η5-C5Me5Mo)2B5H9 (1) and B-Cl inserted (η5-C5Me5Mo)2B5H8Cl (2), (η5-C5Me5Mo)2B5H7Cl2 (3–5, three isomers) and (η5-C5Me5Mo)2B5H5Cl4 (6). In addition, reaction of (η5-C5Me5Mo)2B5H9 with 5-fold excess of n-BuLi followed by excess of MeI in THF yielded B-Me inserted metallaboranes (η5-C5Me5Mo)2B5H7(CH3)2 (7, 8 two isomers) and (η5-C5Me5Mo)2B5H6(CH3)3 (9, 10 two isomers). Isolated yields of 2–6 are poor but 7–10 are modest to good. Compounds 2–10 can be viewed as bicapped closo trigonal bipyramidal geometry. All the new compounds have been characterized in solution by IR, 1H, 11B, 13C NMR and mass spectroscopy as simple substitution derivatives of (η5-C5Me5Mo)2B5H9 and the structural types were unequivocally established by crystallographic analysis of compounds 2, 3, 5 and 6. [Copyright &y& Elsevier]

Pyrolysis of (η5-C5Me5WH3)B4H8, 1, in the presence of excess BHCl2·SMe2 in toluene at 100 °C led to the isolation of (η5-C5Me5W)2B5H9, 2, and B−Cl inserted (η5-C5Me5W)2B5H8Cl, 3, and (η5-C5Me5W)2B5H7Cl2, 4−7 (four isomers). All the chlorinated tungstaboranes were isolated as red and air and moisture sensitive solids. These new compounds have been characterized in solution by 1H, 11B, 13C NMR, and the structural types were unequivocally established by crystallographic analysis of compounds 3, 4, and 7. Density functional theory (DFT) calculations were carried out on the model molecules of 3−7 to elucidate the actual electronic structures of these chlorinated species. On grounds of DFT calculations we demonstrated the role of transition metals, bridging hydrogens, and the effect of electrophilic substitution of hydrogens at B−H vertices of metallaborane structures. Reaction of (η5-C5Me5ReH2)2B4H4 with BHCl2·SMe2 led to the isolation of (η5-C5Me5ReH)2B5Cl5, while (η5-C5Me5WH3)B4H8 and an in situ generated intermediate, generated from (η5-C5Me5Mo)Cl4, and LiBH4, offer only partial chlorination at B−H vertices in (η5-C5Me5M)2B5H9 (M = W, Mo). DFT calculations were carried out on the model molecules of these chlorinated species; we demonstrated the role of transition metals, bridging hydrogens, and the effect of electrophilic substitution of hydrogens at B−H vertices of (η5-C5Me5M)2B5H9 (M = W, Mo). [ABSTRACT FROM AUTHOR]

The F atoms in the title compound, C19H17F2NO, attached to the meta positions of the two phenyl rings, are disordered with site occupancy factors of 0.5. The crystal is stabilized by strong intermolecular N—H…O and van der Waals interactions. [ABSTRACT FROM AUTHOR]

In the title compound, C12H13N3O3, strong intermolecular N—H...O interactions link the molecules into centrosymmetric dimers. The crystal packing is further stablilized by van der Waals forces. [ABSTRACT FROM AUTHOR]