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48 citations found for Kruszynski, R.

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Acta Cryst. (2002). A58, c129
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A series of derivatives of 3-amino-2-oxazolidinone have been prepared. The title derivative, C15H19ClN3O3+·Cl-·H2O, is a potential psychotropic drug. The structure is assembled by strong and weak hydrogen bonds into a three-dimensional infinite framework. In the structure, intramolecular hydrogen bonds link C and O atoms to create a fused three-membered ring system.

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All interatomic distances in the title compound, C20H21N3O4, are normal. The heteroatom ring of the quinoxalinone system exists in a conformation intermediate between half-chair and sofa. The (4-ethoxy­phenyl)­amino moiety is nearly planar. The amino­oxoethyl part can also be considered planar. There is one weak intramolecular C-H...O hydrogen bond in the structure. The structure is assembled by intermolecular N-H...O hydrogen bonds, to form a two-dimensional framework. One further C-H...O short intermolecular interaction is present in the structure.

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The structure of the title compound, C9H18N2O2, has been determined. The morpholine ring exists in an almost ideal chair conformation. The central part of the mol­ecule is almost ideally planar. The mol­ecule is stabilized by weak C-H...N and C-H...O hydrogen bonds. Molecules of the title compound associate via N-H...O and C-H...O interactions to form a linear hydrogen-bonded chain along the z axis.

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All interatomic distances in the title compound, C28H34N4O4, are normal. The (4-ethoxy­phenyl)­amino parts of the side branches are almost ideally planar. The overall arrangement of the side branches seems to be imposed by hydrogen bonds. The substituents are stabilized by interbranch N-H...O hydrogen bonds. The structure of the title compound is assembled by intermolecular N-H...O hydrogen bonds, forming a two-dimensional framework.

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A new fast chemical method for cleaning X-ray tubes from deposited carbonates, based on the high affinity of citric acid toward calcium and magnesium, is presented.

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In the title compound, C10H7NO3·H2O, the zwitterionic organic molecules and the water mol­ecules are connected by N-H...O and O-H...O hydrogen bonds to form ribbons, and [pi]-[pi] stacking inter­actions expand these ribbons into a three-dimensional net. The energies of these hydrogen bonds adopt values typical for mildly weak inter­actions (3.33-7.75 kcal mol-1; 1 kcal mol-1 = 4.184 kJ mol-1). The total [pi]-[pi] stacking inter­actions between aromatic mol­ecules can be classified as mildly strong (energies of 15.3 and 33.9 kcal mol-1), and they are made up of multiple constituent [pi]-[pi] inter­actions between six-membered rings. The short inter­molecular C-H...O contact between two zwitterionic mol­ecules is nonbonding in character.

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The 2-amino­benzothia­zole sulfonation inter­mediate 2,3-di­hy­dro-1,3-benzothia­zol-2-iminium monohydrogen sulfate, C7H7N2S+·HSO4-, (I), and the final product 2-iminio-2,3-dihydro-1,3-benzothia­zole-6-sulfonate, C7H6N2O3S2, (II), both have the endocyclic N atom protonated; compound (I) exists as an ion pair and (II) forms a zwitterion. Inter­molecular N-H...O and O-H...O hydrogen bonds are seen in both structures, with bonding energy (calculated on the basis of density functional theory) ranging from 1.06 to 14.15 kcal mol-1. Hydrogen bonding in (I) and (II) creates DDDD and C(8)C(9)C(9) first-level graph sets, respectively. Face-to-face stacking inter­actions are observed in both (I) and (II), but they are extremely weak.

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In the title compound, [Pt(C14H19N4S)Cl], the azepane ring is partially disordered over two sites. The Pt atom coordination adopts a slightly distorted square-planar geometry. The 2-acetyl­pyridine thio­semicarbazone moiety is very close to planar. The azepane ring has a (-sc, +sc)3, +sp conformation (sc is synclinal and sp is synperiplanar) and, for the minor disorder component, a (-sc, +sc)3, -sp conformation. The computed bond valences for the Pt centre are [nu]Pt-N = 0.467 and 0.587, [nu]Pt-S = 0.60, and [nu]Pt-Cl = 0.48 v.u. (valence units), and thus the computed valence of the Pt atom is 2.13 v.u. [pi]-[pi] stacking inter­actions give rise to [pi]-bonded dimers.

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The title compound, C6H13N4+·ClO4-, crystallizes in the space group P21/n. The structure can be solved in the orthorhombic space group Pnma, but analysis of the refinement parameters showed that the choice of the P21/n space group is the correct one. All interatomic distances can be considered as normal. Molecules are assembled by intermolecular N-H...O hydrogen bonds into a zigzag chain structure along the b axis. In the structure, weak intermolecular C-H...N hydrogen bonds create a two-dimensional net structure in the (011) plane.

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In the title compound [systematic name: 3-(aza­niumyl­car­bam­o­yl)pyridinium dichloride], C6H9N3O2+·2Cl-, the ions are connected by N-H...Cl hydrogen bonds to form layers and C-H...Cl inter­actions expand the layers into a three-dimen­sional net. The energies of the N-H...Cl inter­actions range from typical for very weak inter­actions (0.17 kcal mol-1) to those observed for relatively strong inter­actions (29.1 kcal mol-1). C-H...Cl inter­actions can be classified as weak and mildly strong (energies ranging from 2.2 to 8.2 kcal mol-1). Despite the short contacts existing between the parallel aromatic rings of the cations, [pi]-[pi] inter­actions do not occur.

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The title compound, [Sn4(CH3)8(C13H8Cl2NO2)2(C2H5O)2O2], is a centrosymmetric dimer, with three linearly fused four-membered Sn-O-Sn-O rings. The coordination poly­hedron of the Sn atom bonded to the carboxyl­ate can be described as trigonal-bipyramidal distorted toward square-pyramidal. That of the second Sn atom is similar, but the distortion towards square-pyramidal geometry is greater. The Sn-O and Sn-C distances are 2.020 (2)-2.226 (2) and 2.096 (4)-2.114 (4) Å, respectively. The benzene rings of the 2-[(2,3-dichloro­phenyl)­amino]benzoate ligand subtend an angle of 50.49 (17)°; the conformation of the ligand is stabilized by intra­molecular N-H...Cl and N-H...O hydrogen bonds. The structure is assembled via [pi]-[pi] stacking inter­actions to form chains parallel to [1\overline{2}0].

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A series of derivatives of 3-amino-2-oxazolidinone have been prepared. The 5-morpholino­methyl-3-(4-chloro­benzyl­idene­amino)-2-oxazolidinone derivative is a potential psychotropic drug. Preliminary clinical data showed that the compound exhibits antidepressive activity in humans. The molecular geometry of the title compound, C15H19FN3O3+·Cl-·H2O, is similar to that of 5-morpholino­methyl-3-(4-chloro­benzyl­idene­amino)-2-oxazolidinone. The oxazolidinone ring exists in an almost ideal half-chair conformation. The primary location of molecular interaction with an acid residue within a putative receptor site is at the morpholine N atom. The structure of the title compound is built up from strong and weak intermolecular hydrogen bonds forming a two dimensional infinite hydrogen-bond network.

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The crystal structure of the title compound, N2H62+·2Cl-, previously determined by photographic methods [Wyckoff (1923). Am. J. Sci. 5, 15-22; Donohue & Lipscomb (1947). J. Chem. Phys. 15, 115-119], has been redetermined from single-crystal data. The N and Cl atoms are located on threefold rotation axes, whereas the H atom lies in a general position. The [H6N2]2+ cations and the Cl- anions are connected via N-H...Cl hydrogen bonds forming a three-dimensional net, whereby R63(14) rings are generated.

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All inter­atomic distances in the title compound, C5H7N3O2S, are normal. The 1,2,4-triazoline ring is planar and it is inclined at 78.61 (7)° to the planar acetic acid group. The mol­ecules of the title compound are connected via O-H...N hydrogen bonds into zigzag chains along the [101] direction and by N-H...S hydrogen bonds into a three-dimensional net. In addition, a weak C-H...O hydrogen bond can also be found in the structure.

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The non-H atoms of the title compound, C8H10N2O2, are almost coplanar. The conformation is stabilized by an intra­molecular N-H...O hydrogen bond. The mol­ecules are linked via inter­molecular N-H...O hydrogen bonds into a one-dimensional chain. There are inter­molecular C-H...[pi] inter­actions and [pi]...[pi] stacking inter­actions present in the structure. The hydrogen-bonded chain is expanded into a three-dimensional net via stacking inter­actions.

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A series of derivatives of 3-amino-2-oxazolidinone have been prepared. The 5-morpholino­methyl-3-(4-chloro­benzyl­idene­amino)-2-ox­azol­idin­one derivative is a potential psychotropic drug. Preliminary clinical data showed that the compound exhibits antidepressive activity in humans. The molecular geometry of the title compound, C15H18FN3O3, is similar to 5-morpholino­methyl-3-(4-chloro­benzyl­idene­amino)-2-ox­azol­idin­one. Two atoms of the title compound are disordered so that two different conformations of the ox­azol­idin­one ring were found; one is a twist and the other is an envelope con­formation. The crystal structure of title compound is formed by weak intermolecular C-H...O hydrogen bonds resulting in a two-dimensional infinite hydrogen-bond network.

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All inter­atomic distances and angles in the title compound, [RuCl2(C5H5N)3(C18H15P)], are normal. The Ru atom is octa­hedrally and the P atom tetra­hedrally coordinated. The structure is stabilized by several weak C-H...Cl intra­molecular hydrogen bonds.

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All inter­atomic distances in the title compound, C13H15N3O2S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50 (6)° to the phenyl ring. The ethoxy­carbonyl­methyl group is also close to being planar and is inclined at 87.54 (9)° to the 1,2,4-triazole ring. The crystal was an inversion twin with a twin ratio 0.88 (3):0.12 (3).

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The Fe3+ centre in the complex anion of the title compound, [(C4H9)4N][FeBrCl3], is surrounded by three chloride anions and one bromide anion. The Br atom in [FeBrCl3]- is disordered, replacing Cl atoms. The Fe and N atoms lie on a twofold rotation axis.

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