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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.
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.
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. 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.
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.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.
O hydrogen bonds. The structure of the title compound is assembled by intermolecular N-H
O hydrogen bonds, forming a two-dimensional framework.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.
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
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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
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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
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interactions between six-membered rings. The short intermolecular C-H
O contact between two zwitterionic molecules is nonbonding in character.
O and O-H
O hydrogen bonds to form ribbons, and
-
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
-
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
-
interactions between six-membered rings. The short intermolecular C-H
O contact between two zwitterionic molecules is nonbonding in character.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.
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.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
Pt-N = 0.467 and 0.587,
Pt-S = 0.60, and
Pt-Cl = 0.48 v.u. (valence units), and thus the computed valence of the Pt atom is 2.13 v.u.
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stacking interactions give rise to
-bonded dimers.
Pt-N = 0.467 and 0.587,
Pt-S = 0.60, and
Pt-Cl = 0.48 v.u. (valence units), and thus the computed valence of the Pt atom is 2.13 v.u.
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stacking interactions give rise to
-bonded dimers.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.
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. 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,
-
interactions do not occur.
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,
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interactions do not occur.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
-
stacking interactions to form chains parallel to [1
0].
Cl and N-H
O hydrogen bonds. The structure is assembled via
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stacking interactions to form chains parallel to [1A 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.
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.
Cl hydrogen bonds forming a three-dimensional net, whereby R63(14) rings are generated.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.
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.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
interactions and ![[pi]](/logos/entities/pi_rmgif.gif)

stacking interactions present in the structure. The hydrogen-bonded chain is expanded into a three-dimensional net via stacking interactions.
O hydrogen bond. The molecules are linked via intermolecular N-H
O hydrogen bonds into a one-dimensional chain. There are intermolecular C-H
interactions and ![[pi]](/logos/entities/pi_rmgif.gif)

stacking interactions present in the structure. The hydrogen-bonded chain is expanded into a three-dimensional net via stacking interactions.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.
O hydrogen bonds resulting in a two-dimensional infinite hydrogen-bond network.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.
Cl intramolecular hydrogen bonds.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).
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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![[kappa]](/logos/entities/kappa_rmgif.gif)
-2-[(2,3-dichlorophenyl)amino]benzoato-


