RESUMO
In the title compounds, N,N-di-methyl-acetamide-1-(dimethyl-λ4-aza-nyl-idene)ethan-1-ol tribromide (1/1), C4H9NO·C4H10NO+·Br3 - or [(C4H9NO)·(C4H10NO)](Br3), (I), N,N-di-methyl-acetamide-1-(dimethyl-λ4-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1), C4H9NO·C4H10NO+·Br2I- or [(C4H9NO)·(C4H10NO)](Br2I), (II), and N,N-di-methyl-acetamide-1-(dimethyl-λ4-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1), C4H9NO·C4H10NO+·Cl2I- or [(C4H9NO)·(C4H10NO)]·(Cl2I), (III), all the anions are almost linear in geometry and all the cations, except for the methyl H atoms, are essentially planar. In the crystal structure of (I), the cations are linked by pairs of C-Hâ¯O hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif. These dimers also exhibit O-Hâ¯O hydrogen bonding. Dimerized cation pairs and anions are arranged in columns along the a axis. In the crystal of (II), the cations are linked by pairs of O-Hâ¯O and C-Hâ¯O hydrogen bonds, forming an R 4 4(14) ring motif. These groups of cations and the anions form individual columns along the a axis and jointly reside in planes roughly parallel to (011). In the crystal of (III), cations and anions also form columns parallel to the a axis, resulting in layers parallel to the (020) plane. Furthermore, the crystal structures of (I), (II) and (III) are consolidated by strong halogen (Br and/or I and/or Cl)â¯H and weak van der Waals inter-actions. In addition to the structural evaluation, a Hirshfeld surface analysis was carried out.
RESUMO
In the title compound, C15H15Br2NO2, two bridged tetra-hydro-furan rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the mol-ecules are linked into dimers by pairs of C-Hâ¯O hydrogen bonds, thus generating R 2 2(18) rings. The crystal packing is dominated by Hâ¯H, Brâ¯H, Hâ¯π and Brâ¯π inter-actions. One of the Br atoms is disordered over two sites with occupation ratio of 0.833â (8):0.167â (8).
RESUMO
The title compound, C15H15Br2NO2, crystallizes with two mol-ecules in the asymmetric unit of the unit cell. In both mol-ecules, the tetra-hydro-furan rings adopt an envelope conformation with the O atom as the flap and the pyrrolidine rings adopt an envelope conformation. In the crystal, mol-ecules are linked by weak C-Hâ¯O hydrogen bonds, forming sheets lying parallel to the (002) plane. These sheets are connected only by weak van der Waals inter-actions. The most important contributions to the surface contacts are from Hâ¯H (44.6%), Brâ¯H/Hâ¯Br (24.1%), Oâ¯H/Hâ¯O (13.5%) and Câ¯H/Hâ¯C (11.2%) inter-actions, as concluded from a Hirshfeld surface analysis.
RESUMO
The title compound, C24H24N2O5S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the central ring systems of both mol-ecules, the tetra-hydro-furan rings adopt envelope conformations, the pyrrolidine rings adopt a twisted-envelope conformation and the six-membered ring is in a boat conformation. In mol-ecules A and B, the nine-membered groups attached to the central ring system are essentially planar (r.m.s. deviations of 0.002 and 0.003â Å, respectively). They form dihedral angles of 64.97â (9) and 56.06â (10)°, respectively, with the phenyl rings. In the crystal, strong inter-molecular O-Hâ¯O hydrogen bonds and weak inter-molecular C-Hâ¯O contacts link the mol-ecules, forming a three-dimensional network. In addition weak π-π stacking inter-actions [centroid-to centroid distance = 3.7124â (13)â Å] between the pyrrolidine rings of the nine-membered groups of A mol-ecules are observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to qu-antify the inter-molecular inter-actions present in the crystal, indicating that the environments of the two mol-ecules are very similar. The most important contributions for the crystal packing are from Hâ¯H (55.8% for mol-ecule A and 53.5% for mol-ecule B), Oâ¯H/Hâ¯O (24.5% for mol-ecule A and 26.3% for mol-ecule B) and Câ¯H/Hâ¯C (12.6% for mol-ecule A and 15.7% for mol-ecule B) inter-actions.
RESUMO
The asymmetric unit of the title compound, C15H12Br2F3NO2, consists of two crystallographically independent mol-ecules. In both mol-ecules, the pyrrolidine and tetra-hydro-furan rings adopt an envelope conformation. In the crystal, mol-ecule pairs generate centrosymmetric rings with R 2 2(8) motifs linked by C-Hâ¯O hydrogen bonds. These pairs of mol-ecules form a tetra-meric supra-molecular motif, leading to mol-ecular layers parallel to the (100) plane by C-Hâ¯π and C-Brâ¯π inter-actions. Inter-layer van der Waals and inter-halogen inter-actions stabilize mol-ecular packing. The F atoms of the CF3 groups of both mol-ecules are disordered over two sets of sites with refined site occupancies of 0.60â (3)/0.40â (3) and 0.640â (15)/0.360â (15). The most important contributions to the surface contacts of both mol-ecules are from Hâ¯H (23.8 and 22.4%), Brâ¯H/Hâ¯Br (18.3 and 12.3%), Oâ¯H/Hâ¯O (14.3 and 9.7%) and Fâ¯H/Hâ¯F (10.4 and 19.1%) inter-actions, as concluded from a Hirshfeld surface analysis.
RESUMO
The mol-ecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclo-pentane and tetra-hydro-furan) and one six-membered ring (tetra-hydro-pyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is inter-mediate between chair and half-chair. In the crystal, the mol-ecules are linked by C-Hâ¯O hydrogen bonds and C-Hâ¯π, C-Brâ¯π and Câ¯O inter-actions into double layers. The layers are connected into a three-dimensional network by van der Waals inter-actions.
RESUMO
The title compounds C24H21NO3S, I, and C24H21NO4, II, are the products of the IMDAV reaction between phenyl-maleic anhydride and thien-yl(fur-yl)allyl-amines. Their mol-ecular structures comprise fused tricyclic systems containing thio-phene, cyclo-hexene and pyrrolidine rings (I) or furan, cyclo-hexene and pyrrolidine rings (II). The central cyclo-hexene and pyrrolidine rings in both compounds adopt slightly twisted boat and envelope conformations, respectively. The dihedral angles between the basal plane of the pyrrolidine ring and the thio-phene (in I) or furan (in II) ring plane are 22.74â (16) and 26.29â (5)°, respectively. The nitro-gen atom both in I and II has practically planar environment [the sums of the bond angles are 359.8 and 358.9°, respectively]. In the crystal of I, the mol-ecules form hydrogen-bonded zigzag chains along [010] through strong inter-molecular O-Hâ¯O hydrogen bonds involving carb-oxy-lic and keto groups, whereas in the crystal of II, the mol-ecules are joined into centrosymmetric dimers by strong O-Hâ¯O hydrogen bonds between the carb-oxy-lic groups. In II, the atoms involved into these hydrogen bonds (and hence the whole carb-oxy-lic group) are disordered over two sets of sites with an occupancy ratio of 0.6:0.4. Compounds I and II crystallize as racemates consisting of enanti-omeric pairs of the 3aSR,4RS,4aRS,7aSR and 3aSR,4SR,4aRS,7aSR diastereomers, respectively.
