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41 citations found for Naumov, P
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abstracts
abstracts
metal-organic compounds
The Cd atom in the title compound, [Cd(C7H4NO3S)2(C6H6N2O)2(H2O)2], lies on an inversion centre and is six-coordinate in an all-trans octahedral geometry. Hydrogen bonds involving a water molecule and the amido group of a nicotinamide ligand link adjacent molecules into layers.
organic compounds
In bis(2-hydroxyethylammonium) oxalate, 2C2H8NO+·C2O42-, hydrogen bonds involving the hydroxy and ammonium groups connect the carboxyl O atoms of the oxalate anion into a three-dimensional network structure.
abstracts
abstracts
abstracts
abstracts
crystal structure prediction
The crystal energy landscapes of two model pharmaceutically active chloride salts were used to rationalize the different hydration behaviour of the salts on the basis of the packing of the ions and calculated solvent-accessible volumes in the low-energy structures. The crystal structure of 1-(methylamino)adamantane was characterized and correctly predicted under blind test conditions as the second ranked structure in lattice energy, but the failure to predict the Z′ = 3 structure for the corresponding hydrochloride salt of this relatively simple base illustrates the limits of blind crystal structure prediction.
electronic papers (organic compounds)
The title compound exists in the solid state as a centrosymmetric hydrogen-bonded dimer [O
O 2.661 (3) Å].
O 2.661 (3) Å].abstracts
Thermosalient crystals that exhibit macro-scale motion upon phase transition could be useful as actuators that are capable of converting thermal energy into motion or mechanical work in macroscopic devices.[1] The application capability of these miniature actuators for energy conversion depends on the temperature range and dynamics of transition. While the thermo-mechanical performance cannot be systematically varied with a pure molecular crystal, solid solutions could present a way to intentionally tune both the dynamics and the temperature of the transition in a continuous manner (Figure 1). To verify this hypothesis, Zn(2,2'-bpy)Br2,[2] was selected as a thermosalient material which could form solid solutions (or mixed complexes) with Zn(2,2'-bpy)Cl2. Only one form (isomorphous to one of the two Zn(2,2'-bpy)Br2 forms) has been reported for the chloride.[3] The results indicate that indeed, the two complexes form solid solutions in varying ratios. The mixed crystals undergo the same phase transformation as the pure Zn(2,2'-bpy)Br2 at a Cl/Br-ratio-dependent temperature. The temperature and dynamics of the thermosalient phenomenon correlates with the Cl/Br-ratio.
abstracts
abstracts
organic compounds
The oxidation of thiobenzanilide by lead(IV) tetraacetate yields bis(N-phenylbenzimidoyl) disulfide and N-(N-phenylbenzimidoyl)thiobenzanilide, C26H20N2S. The latter molecule consists of a PhN=C(Ph)- fragment that is linked to a PhC(S)-N(Ph)- fragment by a C-N single bond [1.410 (3) Å]. The two fragements are aligned at approximately 90° to one another.
electronic papers (metal-organic compounds)
In the title compound, the Ni atom is bonded centrosymmetrically by four N and two O atoms in a distorted octahedral coordination. The acetate ligands form intermolecular hydrogen bonds to imidazole moieties, giving rise to a two-dimensional layer structure.
electronic papers (organic compounds)
In the title compound, the N atom of one molecule is linked to the amido-O atom of an adjacent molecule across a center of symmetry by a cyclic hydrogen bond [NO = 2.888 (4) Å]. The molecule is planar and all bond distances and angles are normal, except for the elongated C(=O)-C(=O) single bond of 1.554 (4) Å.
O = 2.888 (4) Å]. The molecule is planar and all bond distances and angles are normal, except for the elongated C(=O)-C(=O) single bond of 1.554 (4) Å.research papers
A comparison of the structures of three polymorphic crystals of the title compound shows that the photochromic activity of ortho-nitrobenzylpyridines is closely related to the rotational freedom of the ortho-nitro group in the crystalline lattice.
metal-organic compounds
The cation and anion of the title compound, (C7H10N)2[Mn(SO4)2(H2O)4], are linked by hydrogen bonds into a three-dimensional network structure. The Mn atom of the anion lies on a centre of inversion in an octahedral coordination geometry of water and sulfate ligands.
metal-organic compounds
The square-pyramidal environment of the metal in the copper(II) saccharinate neutral complex with 2,4'-bipyridine, [Cu(C7H4NO3S)2(C10H8N2)2(H2O)], consists of trans-oriented N-saccharinate and 2,4'-bipyridine ligand pairs and an apical aqua molecule. A crystallographic twofold rotation axis passes through Cu and the aqua ligand.
metal-organic compounds
The Cd atom in the rhombohedral modification of aqua(malonato)cadmium(II) hydrate, [Cd(C3H2O4)(H2O)].H2O, shows pentagonal bipyramidal coordination. The malonate group chelates to the water-coordinated Cd atom; its two carboxyl groups also chelate adjacent Cd atoms.
