Search results for "röntgendiffraktio"
showing 10 items of 11 documents
4,4-Di-fluoro-2,3;5,6-bis-(tetra-methylene)-4-bora-3a,4a-di-aza-s-indacene (LD540).
2014
The title compound, C18H21BF2N2, is a lipophilic dye based on a BODIPY fluorophore backbone, which was developed for microscopic imaging of lipid droplets; the molecule has a planar BODIPY core [dihedral angle between the pyrrole rings = 2.3 (3)°] and two tetramethylene substituents at the 2,3- and 5,6-positions in a half-chair conformation. One of the tetramethylene substituents is disordered over two two sets of sites with site occupancies of 0.5. In the crystal, pairs of C—H...F interactions link the molecules into inversion dimers. Neighbouring dimers are linked by further C—H...F interactions, forming an infinite array. C—H...π and π–π [centroid–centroid distance = 4.360 (3) Å] interac…
6-Amino-2-(pivaloylamino)pyridinium benzoate
2013
In the crystal structure of the title salt, C10H16N3O+·C7H5O2−, the cations and anions are linked to each other via N—H⋯O hydrogen bonds, forming infinite chains running along [010]. The crystal structure also features C—H⋯O and π–π stacking interactions, which assemble the chains into supramolecular layers parallel to (100). The π–π stacking interactions are observed between the pyridine rings of inversion-related cations with a centroid–centroid distance of 3.867 (2) Å. Financial support from the National Science Centre in Kraków (grant No. NCN204 356840) is gratefully acknowledged. Academy Professor Kari Rissanen (Academy of Finland grant Nos. 122350, 140718, 265328 and 263256) and th…
N,N-Dimethyl-N-propylpropan-1-aminium chloride monohydrate
2008
The title compound, C8H20N+·Cl−·H2O, has been prepared by a simple one-pot synthesis route followed by anion exchange using resin. In the crystal structure, the cations are packed in such a way that channels exist parallel to the b axis. These channels are filled by the anions and water molecules, which interact via O—H...Cl hydrogen bonds [O...Cl = 3.285 (3) and 3.239 (3) Å] to form helical chains. The cations are involved in weak intermolecular C—H...Cl and C—H...O hydrogen bonds. The title compound is not isomorphous with the bromo or iodo analogues.
3,4,5-Trimethoxy-4'-methylbiphenyl
2013
In the title compound, C16H18O3, the dihedral angle between the benzene rings is 33.4 (2)°. In the crystal, molecules are packed in a zigzag arrangement along the b-axis and are interconnected via weak C—H⋯O hydrogen bonds, and C—H⋯π interactions involving the methoxy groups and the benzene rings of neighbouring molecules.
3,5-Dimethoxy-4'-methylbiphenyl
2013
The title compound, C15H16O2, crystallizes with three independent molecules in the asymmetric unit. The intramolecular torsion angle between the aromatic rings of each molecule are −36.4 (3), 41.3 (3) and −37.8 (3)°. In the crystal, the complicated packing of the molecules forms wave-like layers along the b and c axes. The molecules are connected via extensive methoxy–phenyl C—H…π interactions. A weak C—H…O hydrogen-bonding network also exists between methoxy O atoms and aromatic or methoxy H atoms.
3,4-Dimethoxy-4'-methylbiphenyl
2013
In the title compound, C15H16O2, the dihedral angle between the planes of the aromatic rings is 30.5 (2). In the crystal, molecules are linked via C—HO hydrogen bonds and C— H interactions, forming a two-dimensional network lying parallel to (100). peerReviewed
Methyl 3',5'-dimethoxybiphenyl-4-carboxylate
2013
In the title compound, C16H16O4, the dihedral angle between the benzene rings is 28.9 (2)°. In the crystal, molecules are packed in layers parallel to the b axis in which they are connected via weak intermolecular C-H...O contacts. Face-to-face π-π interactions also exist between the benzene rings of adjacent molecules, with centroid-centroid and plane-to-plane shift distances of 3.8597 (14) and 1.843 (2) Å, respectively.
Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate
2013
In the title compound, C17H18O5, the dihedral angle between the benzene rings is 31.23 (16)°. In the crystal, the molecules are packed in an antiparallel fashion in layers along the a axis. In each layer, very weak C-H...O hydrogen bonds occur between the methoxy and methyl ester groups. Weak C-H...[pi] interactions between the 4'- and 5'-methoxy groups and neighbouring benzene rings [methoxy-C-ring centroid distances = 4.075 and 3.486 Å, respectively] connect the layers.
Poly[[myy-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-kappa2O:O']tetra-myy-bromido-dibromidodimanganese(II)]
2012
The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)]n, consists of one MnII cation, half of a dicationic N,N0 -bis(2-hydroxyethyl)- N,N,N0 ,N0 -tetramethylpropane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The MnII cation is coordinated by a single L ligand via the hydroxy O atom and by five bromide ions, resulting in a distorted octahedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent MnII atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn—(-Br)2—Mn chains, also forming a polymeric con…
Orgaanisten yhdisteiden kiinteän tilan rakennemääritysmenetelmät
2011
Pro gradu -tutkielmassa käydään läpi 16 yleistä orgaanisten yhdisteiden kiinteän tilan rakennemääritysmenetelmää. Erityistä huomiota on tutkielmassa osoitettu röntgendiffraktiolle, kiinteän tilan NMR-spektroskopialle ja infrapunaspektroskopialle. Erikoistyössä valmistettiin kaksi uutta amidofoldameeriä ja yksi uusi sulfonyylifoldameeri. Valmistettujen yhdisteiden ominaisuuksia tutkittiin ja niitten rakenteet määritettiin. Lisäksi määritettiin yhden muodostetun fluorikompleksin rakenne.