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35 citations found for Oswald, D.H.
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pharmaceuticals and natural products
The structure determination of loxapine succinate and its monohydrate is presented. Fixed cell geometry optimization using density functional theory in CASTEP was used as a complementary tool to locate the H-atom positions in the crystal structure determined from X-ray powder diffraction data.
research communications
Open access
The mixed solvated salt 4-(2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate–acetic acid–cyclohexane (2/2/1), crystallizes with one molecule of protonated amoxapine (AXPN), an acetate anion and a molecule of acetic acid together with half a molecule of cyclohexane. In the crystal, the various components are linked via N—HO and O—HO hydrogen bonds, forming a layered structure with the solvent molecules occupying the spaces between the layers.
abstracts
research communications
Open access
In the copper–mefenamate complex, the asymmetric unit comprises a CuII cation coordinated to two mefenamate ligands solvated with a water molecule and diglyme molecule. The complex adopts a paddlewheel motif and is compared to structural analogues crystallized with dimethylformamide and dimethyl sulfoxide.
research papers
This study investigates the compression of the illicit material MDMA or `ecstasy'.
abstracts
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research papers
Fully hydrogenated glycolide (C4H4O4) has been studied as a function of pressure on the high-pressure beamline, PEARL, at ISIS Neutron and Muon Source. It undergoes a phase transition but remains monomeric to 6 GPa.
abstracts
abstracts
abstracts
research papers
The formation of nifedipine solvates is explored and the desolvation pathways probed through a combination of variable-temperature X-ray powder diffraction, differential scanning calorimetry and thermal gravimetric analysis.
organic compounds
Paracetamol [also known as acetaminophen or N-(4-hydroxyphenyl)acetamide] is an important analgesic drug that has recently been cocrystallized with a series of cyclic N- and O-donor compounds. This paper describes the formation of a paracetamol adduct with morpholine, viz. paracetamol-morpholine (1/2.5), C8H9NO2·2.5C4H9NO. There are five morpholine molecules and two paracetamol molecules in the unit cell. The paracetamol molecules are held together by hydrogen bonding via morpholine molecules, one of which is disordered about an inversion centre.
scientific commentaries
A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose is a lesson in the power of observation and the rigorous analysis of powder samples.
organic compounds
Open access
The 1:1 co-crystal of isonicotinamide and formamide, C6H6N2O·CH3NO, consists of hydrogen-bonded dimers, each comprising two isonicotinamide or two formamide molecules. These dimers are connected further by hydrogen bonds into sheets, which are parallel to the (11) plane.
organic compounds
Open access
A co-crystal of quinol and pyridine would be expected to form with 1:2 stoichiometry because quinol has two hydrogen-bond donors and pyridine has one hydrogen-bond acceptor which is more basic than phenolic oxygen. We report the structure of a 1:1 co-crystal, viz. quinol–pyridine (1/1), C6H6O2·C5H5N, which does not conform to this expectation. Its stability appears to imply that a combination of individually relatively weak C—HO, C—Hπ and π–π stacking interactions are energetically competitive with O—HN hydrogen bonds. Quinol molecules lie on inversion centres, while pyridine is in a general position.