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research papers
Heat treatments in the (α + β) or β phase regime and subsequent cooling induce significant microstructural changes in Zr-Excel (Zr–3.5Sn–0.8Mo–0.8Nb) by generating nondiffusional complex martensitic products. In the current study it is shown how modern whole pattern diffraction line profile analysis can individually characterize the defect structure of the martensitic and non-martensitic components of heat-treated Zr-Excel samples.
organic compounds
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The title compound, C12H9NO2, was prepared by an Aldol reaction of furfuraldehyde with 2,3-dihydro-1H-pyrrolizin-1-one. The molecule is almost planar, with an r.m.s. deviation of 0.045 Å, excluding the methylene H atoms. In the crystal structure, molecules are linked via weak intermolecular C-H
O hydrogen bonding and aromatic ![[pi]](http://scripts.iucr.org/logos/entities/pi_rmgif.gif)
- stacking [centroid-centroid distance = 3.6151 (9) Å].
O hydrogen bonding and aromatic - stacking [centroid-centroid distance = 3.6151 (9) Å].organic compoundsOpen access
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The title compound, C10H14N2O4S, was synthesized by the reaction of methyl 2-aminothiazole-5-carboxylate and di-tert-butyl carbonate. In this structure, the thiazole ring is planar (mean deviation = 0.0011 Å). Two weak intramolecular C-HO hydrogen bonds are formed between two of the methyl groups and one carbonyl O atom, resulting in the formation of two twisted six-membered rings. Intermolecular N-HN hydrogen bonds link the molecules to form centrosymmetric dimeric units, and the hydrogen-bond scheme is completed by intermolecular C-HO contacts.
O hydrogen bonds are formed between two of the methyl groups and one carbonyl O atom, resulting in the formation of two twisted six-membered rings. Intermolecular N-HN hydrogen bonds link the molecules to form centrosymmetric dimeric units, and the hydrogen-bond scheme is completed by intermolecular C-HO contacts.
crystallization communications
The UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase from A. baumannii has been crystallized and preliminary X-ray diffraction data have been collected.
abstracts
metal-organic compoundsOpen access
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The title compound, [Sn(C6H5)2(C12H11N4S2)Cl]·CH4O, is formed during the reaction between 2-acetylthiazole 4-phenylthiosemicarbazone (Hacthptsc) and diphenyltin(IV) dichloride in methanol. In the crystal structure, the Sn atom exhibits an octahedral geometry with the [N2S] anionic tridentate thiosemicarbazone ligand having chloride trans to the central N and the two phenyl groups trans to each other. The Sn-Cl distance is 2.5929 (6), Sn-S is 2.4896 (6) and Sn-N to the central N is 2.3220 (16) Å. The MeOH molecules link the Sn complexes into one-dimensional chains via N-HO and O-HCl hydrogen bonds.
O and O-HCl hydrogen bonds.
research papers
Two 1.8 Å resolution crystal structures of the Ser205 mutant plasmepsin II from P. falciparum in complex with two Phe-Leu core inhibitors that incorporate tetrahedral transition-state mimetic hydroxypropylamine are described.
data reports
Ca2CuO2Cl2 is the undoped parent compound of a high-temperature superconducting cuprate. Its crystal structure was re-refined from single-crystal X-ray diffraction data.
abstracts
organic compounds
The title compound, C8H9N3OS, crystallizes in a triclinic unit cell, with two crystallographically independent molecules in the asymmetric unit. It has a two-dimensional layer structure with intermolecular hydrogen bonding.
metal-organic compounds
In the title compound, [Cd(C9H6NO2S2)(C12H8N2)2(H2O)]NO3·H2O, the Cd atom is coordinated by four N atoms [Cd-N = 2.376 (3)-2.394 (3)Å] and two O atoms [Cd-O = 2.240 (2)-2.274 (3)Å] in a distorted octahedral geometry. The crystal structure exhibits intermolecular O-HO hydrogen bonds and - stacking interactions.
O hydrogen bonds and - stacking interactions.metal-organic compounds
In the title complex, [Ni(C28H20Cl2N2O2)], the NiII atom exists in a square-planar environment, coordinated by four atoms from the tetradentate ligand. Molecules are held together by intermolecular C-HO hydrogen bonds, which link the molecules in a chain along the a axis.
O hydrogen bonds, which link the molecules in a chain along the a axis. metal-organic compounds
In the title complex, diaquabis(2-amino-3-methylbutyrato-![[kappa]](http://scripts.iucr.org/logos/entities/kappa_rmgif.gif)
2N,O)nickel(II), [Ni(C5H10NO2)2(H2O)2], the NiII atom (site symmetry 2) is octahedrally coordinated by two N,O-bidenate valinate ions and two water molecules. A network of intermolecular hydrogen bonds links the complex molecules into a two-dimensional network.
2N,O)nickel(II), [Ni(C5H10NO2)2(H2O)2], the NiII atom (site symmetry 2) is octahedrally coordinated by two N,O-bidenate valinate ions and two water molecules. A network of intermolecular hydrogen bonds links the complex molecules into a two-dimensional network.metal-organic compounds
In the title complex, [Cu(C9H6NO2S2)2(C3H4N2)2], the CuII atom, lying on an inversion centre, is coordinated by two O atoms and two N atoms in a geometry deviating slightly from square planar. Intermolecular hydrogen bonds link the complex molecules into a layer structure.
organic compounds
In the title compound, C13H10ClN3, the benzimidazole and chloropyridyl groups are planar and make a dihedral angle of 68.01 (18)°. There are two weak C-HN hydrogen bonds, producing sheets parallel to (100).
N hydrogen bonds, producing sheets parallel to (100).organic compounds
In the title compound, C14H10O4S2·2C3H7NO, the dithiodisalicylic acid is hydrogen bonded to dimethylformamide solvent molecules. Within the dithiodisalicylic acid, the two benzene rings are nearly perpendicular to each other, with a dihedral angle of 77.77 (10)°.
organic compounds
In the crystal structure of the title compound, C23H19NO2, the molecular backbone is nearly planar, with a dihedral angle of 11.58 (12)° between the planes of the carbazole and benzene groups.
metal-organic compounds
The title compound, [CdI2(C12H8N2)2], consists of two 1,10-phenanthroline (phen) ligands, two I atoms and one Cd atom. The coordination geometry around the Cd atom, which lies on a twofold rotation axis, is slightly distorted octahedral. In the crystal structure, the dihedral angle between the two phen ligands is 89.03 (5)°. The crystal packing is stabilized by intermolecular - interactions of phen rings, with a parallel distance of 3.362 Å, a centroid-centroid distance of 3.903 Å and a slip distance of 1.983 Å, and C-HI hydrogen bonding [IH = 3.091 and 2.990 Å].
- interactions of phen rings, with a parallel distance of 3.362 Å, a centroid-centroid distance of 3.903 Å and a slip distance of 1.983 Å, and C-HI hydrogen bonding [IH = 3.091 and 2.990 Å].metal-organic compounds
A new mixed-metal complex, [CuI(C12H8N2)2]2[CdI4], with an asymmetric unit consisting of one [CuI(phen)2]+ cation (phen = 1,10-phenanthroline) and half of a [CdI4]2- anion lying on a twofold rotation axis, has been synthesized. The Cu2+ ion in the [CuI(phen)2]+ cation is five-coordinated by two bidentate phenanthroline ligands and an iodide ligand. The crystal packing is stabilized by intermolecular C-HI hydrogen bonds.
I hydrogen bonds.
