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Complex Three-dimensional Framework (complex + three-dimensional_framework)

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Chemistry100%

Selected Abstracts

Nine N -aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions

ACTA CRYSTALLOGRAPHICA SECTION B, Issue 4 2006
Silvia Cuffini
Structures are reported here for eight further substituted N -aryl-2-chloronicotinamides, 2-ClC5H3NCONHC6H4X -4,. When X = H, compound (I) (C12H9ClN2O), the molecules are linked into sheets by N,H,N, C,H,,(pyridyl) and C,H,,(arene) hydrogen bonds. For X = CH3, compound (II) (C13H11ClN2O, triclinic with Z, = 2), the molecules are linked into sheets by N,H,O, C,H,O and C,H,,(arene) hydrogen bonds. Compound (III), where X = F, crystallizes as a monohydrate (C12H8ClFN2O·H2O) and sheets are formed by N,H,O, O,H,O and O,H,N hydrogen bonds and aromatic ,,, stacking interactions. Crystals of compound (IV), where X = Cl (C12H8Cl2N2O, monoclinic P21 with Z, = 4) exhibit inversion twinning: the molecules are linked by N,H,O hydrogen bonds into four independent chains, linked in pairs by C,H,,(arene) hydrogen bonds. When X = Br, compound (V) (C12H8BrClN2O), the molecules are linked into sheets by N,H,O and C,H,N hydrogen bonds, while in compound (VI), where X = I (C12H8ClIN2O), the molecules are linked into a three-dimensional framework by N,H,O and C,H,,(arene) hydrogen bonds and an iodo,N(pyridyl) interaction. For X = CH3O, compound (VII) (C13H11ClN2O2), the molecules are linked into chains by a single N,H,O hydrogen bond. Compound (VIII) (C13H8ClN3O, triclinic with Z, = 2), where X = CN, forms a complex three-dimensional framework by N,H,N, C,H,N and C,H,O hydrogen bonds and two independent aromatic ,,, stacking interactions. [source]

Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 11 2009
Zhenfeng Zhang
In the title compound, C18H20F2N4O2S, the triazinane-2-thione ring adopts an envelope conformation, the ring substituents lie on the same side of the mean plane of the heterocyclic ring and the exo lp,N,C,Ntriaz unit (lp is a lone pair and triaz is the triazinane ring) exhibits an antiperiplanar orientation, which is shown to be governed by strong anomeric effects. Molecules are linked into a complex three-dimensional framework by a combination of two N,H...S hydrogen bonds, three C,H...F hydrogen bonds and a ,,, stacking interaction. [source]

Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4H -pyran-2,6-dicarboxylic acid (chelidonic acid)

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 5 2007
Vaduganathan Yasodha
The structures of five metal complexes containing the 4-oxo-4H -pyran-2,6-dicarboxylate dianion illustrate the remarkable coordinating versatility of this ligand and the great structural diversity of its complexes. In tetraaquaberyllium 4-oxo-4H -pyran-2,6-dicarboxylate, [Be(H2O)4](C7H2O6), (I), the ions are linked by eight independent O,H...O hydrogen bonds to form a three-dimensional hydrogen-bonded framework structure. Each of the ions in hydrazinium(2+) diaqua(4-oxo-4H -pyran-2,6-dicarboxylato)calcate, (N2H6)[Ca(C7H2O6)2(H2O)2], (II), lies on a twofold rotation axis in the space group P2/c; the anions form hydrogen-bonded sheets which are linked into a three-dimensional framework by the cations. In bis(,-4-oxo-4H -pyran-2,6-dicarboxylato)bis[tetraaquamanganese(II)] tetrahydrate, [Mn2(C7H2O6)2(H2O)8]·4H2O, (III), the metal ions and the organic ligands form a cyclic centrosymmetric Mn2(C7H2O6)2 unit, and these units are linked into a complex three-dimensional framework structure containing 12 independent O,H...O hydrogen bonds. There are two independent CuII ions in tetraaqua(4-oxo-4H -pyran-2,6-dicarboxylato)copper(II), [Cu(C7H2O6)(H2O)4], (IV), and both lie on centres of inversion in the space group P; the metal ions and the organic ligands form a one-dimensional coordination polymer, and the polymer chains are linked into a three-dimensional framework containing eight independent O,H...O hydrogen bonds. Diaqua(4-oxo-4H -pyran-2,6-dicarboxylato)cadmium monohydrate, [Cd(C7H2O6)(H2O)2]·H2O, (V), forms a three-dimensional coordination polymer in which the organic ligand is coordinated to four different Cd sites, and this polymer is interwoven with a complex three-dimensional framework built from O,H...O hydrogen bonds. [source]

Sodium magnesium bis(vanadate) pyrovanadate: Na6Mg2(VO4)2(V2O7)

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 5 2004
Alexander Mitiaev
The crystal structure of the new complex vanadium oxide Na6Mg2(VO4)2(V2O7) was solved from X-ray single-crystal data. The structure contains VO4 tetrahedra and MgO6 octahedra, linked by corners and forming a complex three-dimensional framework. A half of the VO4 tetrahedra are connected only to MgO6 octahedra, whereas the others are corner-sharing, forming V2O7 pyrovanadate groups with statistically random orientations. One unique Mg atom is located at an inversion centre, while the other Mg atom, one unique V atom and five unique O atoms lie on mirror planes. [source]