Ravnenemark8647

The title compounds, 6-(octyloxy)hexa-hydro-furo[3,2-b]furan-3-ol, C14H26O4, 6-(decyl-oxy)hexa-hydro-furo[3,2-b]furan-3-ol, C16H30O4, 6-(do-decyl-oxy)hexa-hydro-furo[3,2-b]furan-3-ol, C18H34O4, and 6-(tetra-decyl-oxy)hexa-hydro-furo[3,2-b]furan-3-ol, C20H38O4, consist of a polar headgroup (isosorbide) and a lipophilic alkyl chain linked via an ether bridge. Isosorbide is a biobased diol, containing two fused furan rings. One inter-molecular hydrogen bond connects the mol-ecules between the free endo hy-droxy group and the opposing ether oxygen of the V-shaped head group. Thus the mol-ecule layers inter-lock like in a herringbone pattern parallel to the bc plane.The asymmetric unit of the title compound, C23H20N2OS, contains one slightly bent mol-ecule. The naphthalene ring system and the thia-zole ring are twisted with respect to each other, making a dihedral angle of 13.69 (10)°; the anisole ring is inclined to the plane of the naphthalene ring system, the dihedral angle being 14.22 (12)°. In the crystal structure, mol-ecules are linked by C-H⋯π inter-actions, resulting in the formation of sheets parallel to (100). Within the sheets, very weak π-π stacking inter-actions lead to additional stabilization. Hirshfeld surface analysis and fingerprint plots reveal that the cohesion in the crystal structure is dominated by H⋯H (42.5%) and C⋯H/H⋯C (37.2%) contacts.Two potentially bioactive fragments, namely a tricyclic quinazoline derivative with an exocyclic alkene moiety and a substituted iso-quinoline, are coupled to give 3-[6,7-dimeth-oxy-1-(4-nitro-phen-yl)-1,2,3,4-tetra-hydro-isoquinolin-2-yl]methyl-idene-1,2,3,9-tetra-hydro-pyrrolo-[2,1-b]quinazolin-9-one. The target product crystallizes as a methanol solvate, C29H26N4O5·CH4O, and is E configured. The alternative Z isomer would necessarily imply either considerable twist about the central double bond or very unfavourable intra-molecular contacts between sterically more demanding substituents. The main residue and the co-crystallized solvent mol-ecule aggregate to discrete pairs via a classical O-H⋯O hydrogen bond with a distance of 2.8581 (7) Å between the methanol OH donor and the quinazolinone O=C acceptor.The hydro-thermal synthesis and crystal structure of the title two-dimensional coordination polymer, poly[bis-(μ3-3,4-di-amino-benzoato-κ3 N 3,O,O')manganese(II)], [Mn(C7H7N2O2)2] n , are described. The Mn2+ cation (site symmetry ) adopts a tetra-gonally elongated trans-MnN2O4 octa-hedral coordination geometry and the μ3-N,O,O' ligand (bonding from both carboxyl-ate O atoms and the meta-N atom) links the metal ions into infinite (10) layers. The packing is consolidated by intra-layer N-H⋯O and inter-layer N-H⋯N hydrogen bonds. The structure of the title compound is compared with other complexes containing the C7H7N2O2 - anion and those of the related M(C8H8NO2)2 (M = Mn, Co, Ni, Zn) family, where C8H8NO2 - is the 3-amino-4-methyl-benzoate anion.The title compound, C19H17NO5, obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P21/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hy-droxy isophthalate-based ester and that of the benzo-nitrile moiety. The mol-ecule is bent at the ether linkage, with a Car-yl-O-Car-yl bond angle of 116.74 (11)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and other weak inter-actions forming a supra-molecular framework. A Hirshfeld surface analysis was performed to generate two-dimensional fingerprint plots, which reveal the type of inter-actions occurring in the vicinity of the mol-ecule.Ferrocyanides with general formula A I xB II y [Fe(CN)6], where A and B are cations, are thought to accept many substitutions on the A and B positions. Selleck Ceralasertib In this communication, the synthesis and crystal structure of Cs2Sr[Fe(CN)6] are reported. The latter was obtained from K2Ba[Fe(CN)6] particles, put in contact with caesium and strontium ions. Hence, a simultaneous ion-exchange mechanism (Cs for K, Sr for Ba) occurs to yield Cs2Sr[Fe(CN)6]. The synthesis protocol shows that K2BaFe(CN)6 particles can be used for the simultaneous trapping of radioactive caesium and strontium nuclides in water streams. Cs2Sr[Fe(CN)6] adopts the cryolite structure type and is isotypic with the known compound Cs2Na[Mn(CN)6] [dicaesium sodium hexa-cyanidomanganate(III)]. The octa-hedrally coordinated Sr and Fe sites both are located on inversion centres, and the eightfold-coordinated Cs site on a general position.The title compounds, 6-cyclo-propyl-1,3-diphenylfulvene, C21H18, [systematic name 5-(cyclo-propyl-methyl-idene)-1,3-di-phen-yl-cyclo-penta-1,3-diene], 1, and 6-(2,3-di-meth-oxy-naphth-yl)-1,3-diphenylfulvene, C30H24O2, systematic name 5-[(3,4-di-meth-oxy-naphthalen-2-yl)methyl-idene]-1,3-di-phenyl-cyclo-penta-1,3-di-ene, 2, were prepared from 1,3-di-phenyl-cyclo-penta-diene, pyrrolidine, and the corresponding aldehydes in an ethano-lic solution. Each structure crystallizes with one mol-ecule per asymmetric unit and exhibits the alternating short and long bond lengths typical of fulvenes. A network of C-H⋯C ring inter-actions as well as C-H⋯O inter-actions is observed, resulting in the compact packing found in each structure.The title compound, C22H25NOS, consists of methyl-benzyl-idene and benzo-thia-zine units linked to a hexyl moiety, where the thia-zine ring adopts a screw-boat conformation. In the crystal, inversion dimers are formed by weak C-HMthn⋯OBnzthz hydrogen bonds and are linked into chains extending along the a-axis direction by weak C-HBnz⋯OBnzthz (Bnz = benzene, Bnzthz = benzo-thia-zine and Mthn = methine) hydrogen bonds. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (59.2%) and H⋯C/C⋯H (27.9%) inter-actions. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing. Computational chemistry indicates that in the crystal, the C-HBnz⋯OBnzthz and C-HMthn⋯OBnzthz hydrogen-bond energies are 75.3 and 56.5 kJ mol-1, respectively. Density functional theory (DFT) optimized structures at the B3LYP/ 6-311 G(d,p) level are compared with the experimentally determined mol-ecular structure in the solid state.