Similar discrepancies are found for the high-pressure polymorph of phenanthrene, which is here re-investigated in greater detail. The hydroxyl moieties are distributed along the outer edges of the ribbon and in phase I they connect the ribbons into a layer by chains of OD.
O hydrogen bonds, together with a two-centre iodo.
Although neutron diffraction experiments are the preferred source of this information, for a variety of reasons they are possible only for a minority of materials of interest. These two scenarios combine to form the observed distributions of pair centroid positions.
This is achieved by modifying the relative orientations of molecules and by encouraging the formation of denser structures in which molecules pack together more efficiently.
OD hydrogen bonds are replaced by shorter OD.
IDEAL FAMMILLE NOMBREUSE ! Given the important disorder observed in the latter compound, only a combination of non-harmonic waves, crenel functions and TLS tensors offered a good modelling of the structure. Omission of the superstructure reflections leads to orthorhombic Laue symmetry. There are two monoanions and two dianions of O-phospho-l-serinate per asymmetric unit, as well as six ordered ammonium cations and six water molecules.
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Rods of weak diffuse scattering confirm the stacking model.
L AUTHENTIQUE, UNE VALEUR SURE ! POUR VIVRE HEUREUX, VIVONS CACHES !
D interactions become more numerous, while hydrogen bonds actually begin to lengthen in the transition from phase II to III. The near-neighbor relations between molecules remain unchanged through all twin boundaries.
Molecular dipole moments and electrostatic potentials obtained from invariom modelling are discussed and compared with results from ab initio theoretical calculations.
This is achieved by modifying the relative orientations of molecules and by encouraging the formation of denser structures in which molecules pack together more efficiently. L AUTHENTIQUE, UNE VALEUR SURE !
O hydrogen bonds and two three-centre iodo.
A comprehensive description of the hydrogen-bonding scheme in both polymorphs is given. Neutron diffraction allows the full description of the H-atom positions in this molecular material, which is vital in benchmarking related crystal-structure predictions. Neutron diffraction allows the full description of the H-atom positions in this molecular material, which is vital in benchmarking related crystal-structure predictions. D interactions become more numerous, while hydrogen bonds actually begin to lengthen in the transition from phase II to III. UN PARADIS SECRET RIEN QUE POUR VOUS !
The model reveals the presence of O-phospho-l-serinate monoanions, ammonium cations and partly disordered water molecules. IDEAL FAMMILLE NOMBREUSE !
Although neutron diffraction experiments are the preferred source of this information, for a variety of reasons they are possible only for a minority of materials of interest.
The X-ray structure determination of two compounds, each belonging to one of the two series, allowed the experimental validation of the initial rationale. O hydrogen bonds and a two-centre iodo.
O contacts are absent from the structure. In the transition from phase I to II these voids begin to close up, but at the cost of breaking the OD. O hydrogen bonds is augmented not only by a two-centre iodo. O hydrogen bonds and a two-centre iodo. O hydrogen bonds, together with a two-centre iodo. POUR AMOUREUX DE LA NATURE !
These two scenarios combine to form the observed distributions of pair centroid positions.