Search results for " diffraction"
showing 10 items of 896 documents
Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives
2011
The co-crystallization of agrochemical actives thiophanate-methyl and thiophanate-ethyl with 2,2′-bipyridine, 4,4′-bipyridine and 1,2-bis(4-pyridyl)ethane was investigated with conventional crystallization, the slurry method and liquid-assisted grinding. Co-crystals of both thiophanates with all bipyridines were found and the structures solved with single crystal X-ray diffraction. Whereas the 2,2′-bipyridine co-crystals seem to form because of a combination of weak interactions, and in the case of the thiophanate-methyl, partly because of close packing incentives, the 4,4′-bipyridine and 1,2-bis(4-pyridyl)ethane co-crystals form mainly because of a favourable N–H···N–pyridine hydrogen bond…
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…
N-{4-[(3-Methylphenyl)sulfamoyl]phenyl}benzamide
2011
In the title compound, C20H18N2O3S, the dihedral angle between the central benzene ring and the amide group is 24.1 (3) and that between this ring and the aromatic ring of the tolyl group is 68.2 (16). In the crystal, adjacent molecules are linked by N—HO hydrogen bonds into a linear chain running along [100]. Weak C—HO contacts also occur. Extensive weak – interactions exist from both face-to-face and face-to-edge interactions occur between the aromatic rings [centroid–centroid distances = 3.612 (2) and 4.843 (2) A˚ ]. Related peerReviewed
1,1,4,4-Tetramethylpiperazinediium dibromide
2009
A small quantity of the title compound, C8H20N22+·2Br−, was formed as a by-product in a reaction between a diamine and an alkyl bromide. The asymmetric unit contains half of a centrosymmetric dication and a bromide anion. In the crystal, weak intermolecular C—H...Br hydrogen bonds consolidate the crystal packing.