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The crystal structure of the title compound, C16H26NO2+·C18H13O8−, is stabilized by an extensive network of classical N—H
O and O—H
O hydrogen bonding. The crystal structure also shows an ammonium-driven diastereoisomerism.
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Size distributions of electro-oxidized and reduced carbon- supported Pt catalyst particles are examined by in situ ASAXS studies in electrochemical cells.
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The title compound, [Co(C8H4NO2)2(H2O)2]n, which was obtained by the reaction of CoCl2·6H2O with 4-cyanobenzoic acid, is the first two-dimensional 4-cyanobenzoate cobalt(II) polymer. The Co atom lies on a centre of symmetry and its coordination polyhedron is a slightly distorted octahedron, defined by two water and four carboxylate O atoms. The 4-cyanobenzoate (cba) anion is bridging in a syn-skew coordination mode, which ensures a two-dimensional architecture with the building block Co4(cba)4.
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In the title molecule, C18H18OS2, the geometric parameters are normal and the two S atoms are both in an anti arrangement with respect to the carbonyl O atom. The dihedral angle between the thiophene rings is 5.16 (9)°.
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The title compound, C15H14F2N2O3, was obtained in a one-pot three-component reaction from 4-(difluoromethoxy)benzaldehyde, cyclohexane-1,3-dione and urea, with a catalytic amount of p-toluenesulfonic acid. The 4-(difluoromethoxy)phenyl ring is positioned axially, perpendicular to, and bisecting the six-membered heterocyclic ring. The heterocyclic ring adopts a puckered boat conformation, whereas the cyclohexene ring is in a half-chair conformation. The molecules are linked by N—H
O, C—H
O, N—H
F and C—H
F intermolecular hydrogen bonds.
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In the title complex, [CuCl2(C11H21N3O)], the five-coordinate Cu atom has a distorted square-pyramidal configuration. The crystal packing is stabilized by intermolecular N—H
Cl hydrogen-bonding interactions. The furan ring is disordered over two position, with site occupancy factors of ca. 0.6 and 0.4.
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The crystal structure of the title compound, [Na(C2H3N4S)(H2O)3]n, features polymeric chains made up of sodium coordination octahedra NaS(H2O)5, each of them sharing two μ-H2O
μ-H2O edges with two adjacent octahedra; the chains run along the a axis of the crystal structure. All three unsubstituted N atoms of the tetrazole ring are involved in the complex hydrogen-bonding system; however, none of them participate in the coordination of the sodium ion.
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In the title compound, [Co(C7H4FO2)2(C12H8N2)(H2O)], the CoII ion is coordinated by two O atoms from one 3-fluorobenzoate (fb) ligand and one O atom from another fb ligand, two N atoms from the 1,10-phenanthroline ligand and a water molecule in a distorted octahedral geometry. An intramolecular O—H
O hydrogen bond occurs. Intermolecular O—H
O hydrogen bonds link pairs of molecules into centrosymmetric dimers. Weak intermolecular C—H
O and C—H
F hydrogen bonds and π–π interactions between the aromatic rings [shortest centroid–centroid distance = 3.4962 (2) Å] further stabilize the crystal packing.
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In the polymeric title complex, {[Mn(C8H4O4)(C7H6N2)(H2O)2]·2H2O}n, the MnII cation is coordinated by two benzenedicarboxylate anions, one benzimidazole ligand and two water molecules in a distorted MnNO5 octahedral geometry. In the crystal, each benzenedicarboxylate anion bridges adjacent MnII cations through the terminal carboxylate groups, forming a polymeric complex chain along the a axis. One Mn—Ocarboxylate bond is much longer than the others. In the crystal, π–π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent molecules, the centroid–centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive intermolecular O—H
O and N—H
O hydrogen bonding is present in the crystal structure. The two lattice water molecules are located on twofold rotation axes.
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In the title compound, C16H26NO2+·C4H5O6−·2H2O, a meptazinol derivative, three C atoms of the azepane ring are disordered over two positions, with site-occupancy factors of 0.80 and 0.20; the major disorder component adopts a twist-chair conformation, while the minor component has a chair conformation. The benzene ring is axially substituted on the heterocyclic ring, resulting in a folded conformation of the cation. The absolute configuration was determined with reference to D-tartaric acid. The crystal structure is stabilized by an extensive network of intra- and intermolecular O—H
O hydrogen bonds.
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The title compound, C14H11BrN2OS, was synthesized by the reaction of 1,2-benzothiazol-3(2H)-one with formalin and 3-bromoaniline in ethanol. The 1,2-benzothiazolone ring system is approximately planar [maximum deviation = 0.0142 (s.u.?) Å] and forms a dihedral angle of 79.19 (5)° with the benzene ring. In the crystal, molecules are linked by N—H
O, C—H
O and C—H
Br interactions.
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In the molecule of the title compound, C19H23N3O3, the six-membered rings are oriented at a dihedral angle of 73.06 (3)°. The cyclopentyl ring adopts an envelope conformation. In the crystal structure, intermolecular N—H
O and O—H
N hydrogen bonds link the molecules. In the tolyl ring, the H atoms and all but one of the C atoms are disordered over two positions and were refined with occupancies of 0.51 (3) and 0.49 (3).
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In the molecule of the title compound, C20H25N3O3, the aromatic rings are oriented at a dihedral angle of 88.36 (3)°. The cyclohexane ring adopts a chair conformation. In the crystal structure, intermolecular N—H
O and O—H
N hydrogen bonds link the molecules. C—H
π interactions are also present.
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In the title complex, [Cu(ClO4)2(C12H16N2O2)2], the six-coordinate Cu atom lies on an inversion center with four amine N atoms in the equatorial plane, with Cu—N distances of 2.049 (3) and 2.055 (3) Å, and two perchlorate O atoms in axial positions, with Cu—O distances of 2.580 (2) Å.
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The molecule of the title compound, C12H12O2, is essentially planar, with a maximum deviation from the mean plane of all non-H atoms of 0.038 (1) Å for the methyl C atom in the 8-position. The crystal structure is characterized by antiparallel π–π stacking along the c axis, with centroid–centroid distances as short as 3.866 (1) Å. In the crystal, C—H
O hydrogen bonds connect the molecules across the stacks into ribbons in the a-axis direction.
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The title compound, C12H13NO3S, was synthesised by the reaction of benzo[d]isothiazol-3(2H)-one with butyl alcohol in toluene. The benzoisothiazolone ring system is almost planar with a mean deviation of 0.041 (1) Å. In the crystal, molecules are linked by weak intermolecular C—H
O hydrogen bonds.
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In the title compound, C17H14O5S, the coumarin ring system is nearly planar, with a maximum deviation of 0.034 (2) Å from the mean plane. The dihedral angle between the benzene ring and the coumarin ring system is 56.11 (6)°. The crystal packing is stabilized by C—H
O hydrogen bonding, which forms a three-dimensional framework.
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The crystal structure of the title compound, C9H20NO+·Cl−·0.33(H3O+·Cl−), is composed of 4-hydroxy-2,2,6,6-tetramethylpiperidinium cations, hydroxonium cations and chloride anions, which are connected via O—H
O, O—H
Cl and N—H
Cl hydrogen bonding. The 4-hydroxy-2,2,6,6-tetramethylpiperidinium cation and one of the two crystallographically independent chloride anions are located on a mirror plane. The hydroxonium cation is located on a threefold axis and the second crystallographically independent chloride anion is located on a sixfold rotoinversion axis. Due to symmetry, the hydroxonium cation is disordered over two positions.
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In the crystal structu of the title compound, C11H22O8P2·0.5H2O, the asymmetric unit contains two spiro[5.5]undecane molecules and one water molecule. The structure is stabilized by intra- and intermolecular C—H
O and O—H
O hydrogen bonds.
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