menusearch results
results of search on CRYSTALLOGRAPHY JOURNALS ONLINE
23 citations found for Barnett, A.
Search for Barnett, A. in the World Directory of Crystallographers
Results 1 to 20, sorted by name:
organic compounds
Open 
access
access
The title compound, C32H40N2O4, is a 1,10-diaza-18-crown-6 cryptand with an o-terphenyl bridge. In the polyether ring, two adjacent –CH2– groups are disordered with very nearly equal populations of two conformers. The ordered bond lengths are normal, with average C—C = 1.511 (3) Å, C—O = 1.421 (3) Å, and C—N = 1.466 (4) Å. The r.m.s. deviations of the three rings of the terphenyl bridge vary from 0.007 to 0.009 Å and the two rings ortho to one another are twisted by 50.75 (5) and 47.76 (4)° with respect to the third ring. The N
N distance is 5.408 (1) Å.
N distance is 5.408 (1) Å.
abstracts
organic compoundsOpen access
access
The solvate structure of 1-chloro-3,4-dinitrobenzene with 1,4-dioxane, C6H3ClN2O4·C4H8N2, is reported. Alternating molecules of 3,4-dinitro-1-chlorobenzene and 1,4-dioxane are linked by C—HO hydrogen bonds into a continuous two-dimensional sheet.
O hydrogen bonds into a continuous two-dimensional sheet.organic compoundsOpen access
access
The solvate structure of 3,4-dichloro-1-nitrobenzene with 1,4-dioxane, C6H3Cl2NO2·0.25C4H8N2, is reported. The asymmetric unit comprises two independent 3,4-dichloro-1-nitrobenzene molecules and half of a 1,4-dioxane molecule, the solvent molecule being disposed about a centre of inversion. Double chains of 3,4-dichloro-1-nitrobenzene are linked by ClCl interactions and 1,4-dioxane molecules via C—HO hydrogen bonds into a two-dimensional sheet.
Cl interactions and 1,4-dioxane molecules via C—HO hydrogen bonds into a two-dimensional sheet.
research papers
The polymorphic phase transition of 1,2,4,5-tetrachlorobenzene (TCB) has been investigated using neutron powder diffraction and single-crystal X-ray diffraction.
metal-organic compounds
In the title compound, [PdCl2(C6H4N2)2], the PdII cations occupy crystallographic inversion centres and adopt a slightly distorted square-planar coordination geometry. Adjacent molecules are linked into one-dimensional chains via long-range pairwise PdCl interactions.
Cl interactions.
organic compounds
The crystal structure of a 5-fluorouracil-thymine [5-fluoropyrimidine-2,4(1H,3H)-dione-5-methylpyrimidine-2,4(1H,3H)-dione, C4H3FN2O2·C5H6N2O2] solid solution has been determined. Both of the crystallographically independent sites can accommodate either 5-fluorouracil or thymine molecules, leading to occupational disorder [C5-xH6-3xFxN2O2·C5-yH6-3xFyN2O2, with x = 0.52 and y = 0.7 for determination (I), x = 0.55 and y = 0.69 for (II), and x = 0.67 and y = 0.76 for (III)]. The 5-fluorouracil-thymine ratio in the crystal structure is influenced by the 5-fluorouracil-thymine ratio in the crystallization solution, though it does not exactly mirror it. The crystal structure comprises interpenetrating hydrogen-bonded nets, containing four independent hydrogen bonds.
organic compoundsOpen access
access
A low-temperature redetermination of metaldehyde (systematic name: 2,4,6,8-tetramethyl-1,3,5,7-tetroxocane), (CH3-CHO)4 or C8H16O4, is reported, 69 years after the original determination [Pauling & Carpenter (1936). J. Am. Chem. Soc. 58, 1274-1278]. Metaldehyde crystallizes in the space group I4. The asymmetric unit contains one quarter of a molecule and the complete molecule is generated by the fourfold rotation axis.
organic compoundsOpen access
access
The solvate structure of 3,4-dichloro-1-nitrobenzene with aniline, 2C6H3Cl2NO2·C6H7N, is reported. Ribbons of 3,4-dichloronitrobenzene, formed by ClCl and N—OCl interactions, are linked together via N—HO hydrogen bonds with aniline into an undulating two-dimensional sheet.
Cl and N—OCl interactions, are linked together via N—HO hydrogen bonds with aniline into an undulating two-dimensional sheet.metal-organic compounds
In the title compound, [Co(CH3CN)2(H2O)4](NO3)2, the CoII cations occupy crystallographic inversion centres and adopt a distorted octahedral coordination geometry, with trans-disposed acetonitrile ligands. Extensive hydrogen-bonding interactions between the coordinated water ligands and the nitrate counter-anions lead to the formation of a three-dimensional framework. There are substantial differences between the structure of the title compound at 150 K and the previously reported structure at 293 K.
abstracts
research papers
The X-ray structure of geranylgeranylglyceryl phosphate synthase from Thermoplasma volcanium is reported, and a phylogenetic analysis and parallel ancestral state reconstruction of the evolution of the enzyme are reported for the phylum Euryarchaeota.
abstracts
abstracts
research papers
The structures of both known forms of the polymorphic material ortho-acetamidobenzamide have been determined by low-temperature neutron single-crystal diffraction.
organic compounds
The title dimethyl sulfoxide (DMSO) solvate, C8H4FNO2·C2H6OS, was isolated during a manual crystallization screen on 7-fluoroisatin (7-fluoroindoline-2,3-dione). Molecules of 7-fluoroisatin are linked via C—HO interactions to form chains parallel to the a direction, from which N—HO hydrogen-bonded molecules of DMSO protrude.
O interactions to form chains parallel to the a direction, from which N—HO hydrogen-bonded molecules of DMSO protrude.organic compounds
The title dimethyl sulfoxide (DMSO) solvate, C8H4FNO2·C2H6OS, was isolated during a manual crystallization screen on 5-fluoroisatin (5-fluoroindoline-2,3-dione). Molecules of 5-fluoroisatin are linked via C—HO interactions to form chains parallel to (0
1) from which N—HO hydrogen-bonded DMSO molecules protrude.
O interactions to form chains parallel to (0
1) from which N—HO hydrogen-bonded DMSO molecules protrude.organic compounds
The title compound, C9H7FN2O4, was isolated during a manual crystallization screen on 5-fluoroisatin (5-fluoroindoline-2,3-dione). Hydrogen-bonded ribbons of the oxindole are formed through pairs of N—HO and O—HO interactions. These ribbons then pack parallel to (092) and (09
) such that a herring-bone motif is established.
O and O—HO interactions. These ribbons then pack parallel to (092) and (09
) such that a herring-bone motif is established.
beamlines
The small-molecule single-crystal diffraction beamline (I19) at Diamond Light Source is described. Key technical details are explained and some recent scientific results are highlighted.
abstracts
