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metal-organic compounds
The reaction of dipicolinic acid (2,6-pyridinedicarboxylic acid) with FeCl3 results in the unusual title ion-pair compound, [Fe(C7H3NO4)(H2O)3][Fe(C7H3NO4)2].6H2O. Each Fe atom has an octahedral geometry. The dipicolinate ligands are nearly planar, with the two in the anion being perpendicular to each other and displaying a dihedral angle of 93.74 (6)°. The Fe—O(carboxylate) bond distances are comparable and range from 2.008 (2) to 2.028 (2) Å, while the Fe—N distances are 2.059 (2), 2.054 (2) and 2.054 (2) Å. The Fe—O(water) distances are 1.971 (2), 1.987 (2) and 2.004 (2) Å. The cation, anion and water molecules are involved in an extensive three-dimensional hydrogen-bonding network, with O
O distances ranging from 2.36 (2) to 2.953 (3) Å and angles ranging from 129 to 177°.
O distances ranging from 2.36 (2) to 2.953 (3) Å and angles ranging from 129 to 177°.research papers
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More than 20 new compounds derived from 2,4,6-trihydroxybenzoic acid (H4thba) have been synthesized, with structures that include discrete molecular units and chains, in addition to two- and three-dimensional nets. Intramolecular hydrogen bonds between the ortho-hydroxy groups and the carboxylate group in the H3thba− anion confer a rigid geometry upon the ligand which, when combined with the low basicity of the carboxylate group, limits the variety of metal-binding modes.
research papers
Although 4-hydroxybenzoic acid (H2hba) is a relatively simple organic molecule, it displays remarkable coordinative flexibility in its reactions with alkali metal hydroxides, forming ionic networks containing the dianion (hba2−), the monoanion (Hhba−) or the neutral acid species (H2hba). A common feature of the structures of the lattices is their layered arrangement: alternating hydrophilic layers made up of closely packed metal–oxygen polyhedra are separated by the hydrophobic nonpolar components of the hydroxybenzoate linking units.
protein structure communications
The 1.8 Å crystal structure of an MBP-fusion protein with the C-terminal cytoplasmic segment of the V1 vasopressin receptor reveals that the receptor segment is unstructured.
abstracts
research papers
Transparent p-terphenyl single crystals were grown by the vertical Bridgman technique with conventional and improved double-wall growth ampoules. The enhanced crystalline perfection and fluorescence properties of the improved-ampoule-grown crystal suggest that the vertical Bridgman growth method with the modified growth vessel is effective for growing high-quality bulk single crystals of low-melting-point organic materials.
structural communications
The 1.6 Å resolution structure of a fibronectin type III-like module from Clostridium thermocellum (PDB code 3mpc
) with two molecules in the asymmetric unit is reported.
abstracts
metal-organic compounds
research papers (organic compounds)
research papers (metal-organic compounds)
organic compounds
In the title compound, C19H13Cl2NO2S, the cyclobutane ring is slightly folded. The crystal structure is stabilized by intra- and intermolecular C—HO interactions.
O interactions.organic compounds
In the title compound, C13H10ClNO3, the dihedral angle between the two rings is 68.9 (3)°. The crystal structure is stabilized by weak intermolecular C—HO hydrogen bonds.
O hydrogen bonds.organic compounds
In the title compound, C20H10Cl2O2, the naphthoquinone unit is essentially planar. The dihedral angle between the naphthalene system and the benzene ring is 11.74 (6)°. The molecules are linked by intermolecular C—HCl interactions, forming a chain along the b axis. In addition, the crystal structure is stabilized by weak intermolecular π–π interactions.
Cl interactions, forming a chain along the b axis. In addition, the crystal structure is stabilized by weak intermolecular π–π interactions.organic compounds
The title compound, C20H10Cl2O2, crystallizes with two crystallographically independent molecules in the asymmetric unit. In both molecules, the cyclohexene ring adopts a boat conformation. The molecules are linked into a sheet parallel to the ab plane by C—HCl hydrogen bonds and C—Hπ interactions.
Cl hydrogen bonds and C—Hπ interactions.
research papers
A facile heating cell for in situ transmittance and fluorescence X-ray absorption spectroscopy is described. It provides a novel approach to the design of an in situ cell for synchrotron radiation applications.
crystallization communications
Overexpression,crystallization and preliminary X-ray crystallographic analysis of release factor eRF1-1 from Arabidopsis thaliana.
metal-organic compounds
In the title compound, {[Co(C16H17FN3O3)2]·2H2O}n, the Co atom exists in a distorted trans-CoN2O4 octahedral geometry that is defined by two monodentate N-bonded and two bidentate O,O′-bonded 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylate ligands. The extended two-dimensional structure exhibits a 13.33 × 16.19 Å square grid. The Co atom lies on a center of inversion.
abstracts
abstracts
