metal-organic compounds
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The asymmetric unit of the title complex, [MnI2(C8H6N4)2], contains one half of a neutral MnII complex, with the entire molecule completed by the application of twofold symmetry. The MnII ion is six-coordinated in a distorted octahedral environment defined by four N atoms of the two chelating 2,2′-bipyrimidine (bpym) ligands and two I− anions in a cis-N4I2 coordination geometry. The dihedral angle between the least-squares planes of the two bpym ligands (r.m.s deviation for all non-H atoms = 0.063 Å) is 85.04 (6)°. In the crystal, complex molecules are connected by C—HN and C—HI hydrogen bonds, forming a three-dimensional network. Molecules are stacked in columns along the a axis. Along the c axis, successive molecules stack in the opposite directions.
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In the title complex, [MnCl2(C10H9N3)2], the MnII ion is six-coordinated in a considerably distorted cis-N4Cl2 octahedral environment defined by four N atoms of two chelating di-2-pyridylamine (dpa) ligands and two Cl− anions. In the crystal, the dpa ligands are not planar, the dihedral angles between the two pyridine rings being 29.3 (2) and 30.9 (2)°. The complex molecules are stacked in columns along the c axis and are connected by intermolecular N—HCl hydrogen bonds, forming a three-dimensional network. Weak inter- and intramolecular π–π interactions are present between the pyridine rings, the shortest centroid—centroid distance being 4.406 (3) Å.
metal-organic compounds
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In the title complex, [PdCl2(C13H9N)2], the PdII ion is four-coordinated in an essentially square-planar environment by two N atoms from two acridine ligands and two Cl− anions. The Pd atom is located on an inversion centre, and thus the asymmetric unit contains one half of the complex and the PdN2Cl2 unit is exactly planar. The dihedral angle between the PdN2Cl2 unit and the acridine ligand is 84.66 (6)°. In the crystal, the complex molecules are stacked in columns along the a axis connected by C—HCl hydrogen bonds, forming chains along [110]. In the columns, numerous intermolecular π–π interactions between the six-membered rings are present, the shortest ring centroid–centroid distance being 3.722 (4) Å.
metal-organic compounds
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In the title complex, [PdI2(C11H9N)2], the PdII ion has a distorted trans-I2N2 square-planar coordination geometry defined by two N atoms from two 2-phenylpyridine ligands and two I− anions. The 2-phenylpyridine ligands are not planar, the dihedral angles between the pyridine and benzene rings being 50.1 (2) and 45.7 (2)°. An intermolecular π–π interaction between the six-membered rings is present, the ring centroid–centroid distance being 3.898 (4) Å.
metal-organic compounds
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The MnII ion in the title compound, [Mn(CH3CO2)2(C15H11N3)]·2H2O, is seven-coordinated in a considerably distorted pentagonal–bipyramidal geometry by three N atoms of the tridentate 2,2′:6′,2′′-terpyridine ligand and four O atoms from two acetate anions which chelate the Mn atom via two O atoms. The lateral pyridine rings are slightly inclined to the central pyridine ring, making dihedral angles of 13.6 (2) and 5.7 (2)°. The complex and solvent water molecules are linked by intermolecular O—HO hydrogen bonds into a three-dimensional network.
metal-organic compounds
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In the title complex, [PdCl2(C9H7N)2], the PdII ion is four-coordinated in an essentially square-planar environment defined by two N atoms from two quinoline ligands and two Cl− anions. The Pd atom is located on an inversion centre, and thus the asymmetric unit contains one half of the complex; the PdN2Cl2 unit is exactly planar. The dihedral angle between the PdN2Cl2 unit and quinoline ligand is 85.63 (8)°. In the crystal, the complex molecules are stacked into columns along the b axis. In the columns, several intermolecular π–π interactions between the six-membered rings are present, the shortest ring centroid–centroid distance being 3.764 (3) Å between pyridine rings.
metal-organic compounds
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The PdII ion in the title complex, [Pd(NCS)2(C14H10N4)], is four-coordinated in a distorted square-planar environment by the two pyridine N atoms of the chelating 2,3-di-2-pyridylpyrazine (dpp) ligand and two S atoms from two thiocyanate anions. The pyridine rings are considerably inclined to the least-squares plane of the PdS2N2 unit [maximum deviation = 0.027 (1) Å], making dihedral angles of 70.3 (2) and 69.2 (1)°. The pyrazine ring is almost perpendicular to the PdS2N2 plane, with a dihedral angle of 86.3 (1)°. The thiocyanate ligands are located on opposite sides of the PdS2N2 unit plane and are almost linear [N—C—S angles = 177.8 (6) and 178.9 (6)°]. The complex molecules are stacked in columns along the b axis and are connected by intermolecular C—HN hydrogen bonds, forming chains along the a axis.
metal-organic compounds
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In the title complex, [Pd(N3)2(C12H8N2)], the PdII ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the chelating 1,10-phenanthroline (phen) ligand and two N atoms from two azide anions. The azido ligands are slightly bent with bond angles of 174.8 (4) and 174.5 (5)°. The complex molecules are stacked in columns along the a axis and are connected by intermolecular C—HN hydrogen bonds, forming a three-dimensional network. In the columns, numerous intermolecular π–π interactions between the six-membered rings are present, the shortest ring centroid–centroid distance being 3.607 (2) Å.
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The asymmetric unit of the title compound, [Pd(C6H5N2O)(C6H6N2O)]Cl, contains one half of a cationic PdII complex and a Cl− anion, with a crystallographic mirror plane parallel to the ac plane passing through the Pd and Cl atoms. In the complex, the PdII ion is four-coordinated in a distorted square-planar environment by four N atoms derived from the two chelating ligands. The hydroxy H atom lies on the mirror plane and so is equidistant from the O atoms. This indicates that the negative charge is delocalized over the two O atoms. The complex molecules are stacked in columns along the c axis and are connected by C—HO hydrogen bonds, forming a three-dimensional network. The structure reported herein represents a new monoclinic polymorph of the previously reported monoclinic (C2/c) form [Torabi et al. (2007). Z. Kristallogr. New Cryst. Struct. 222, 197–198].
organic compounds
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The title compound, C13H10N+·C7H4NO4−, consists of a protonated acridinium cation and a 6-carboxypyridine-2-carboxylate monoanion. The carboxylate group of the anion appears to be delocalized on the basis of the nearly equivalent C—O bond lengths. In the crystal, the anions are connected by strong O—HO hydrogen bonds, forming chains along the b axis. The acridinium cations are linked to the anionic chains by strong N—HO hydrogen bonds between the carboxylate group of the anion and the N—H group of the cation. Along the b axis, successive chains stack in opposite directions. Weak intermolecular C—HO hydrogen bonds further stabilize the crystal structure.
metal-organic compounds
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In the title complex, [Pt(NCS)2(C10H9N3)], the PtII ion is four-coordinated in a distorted square-planar environment by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two mutually cis S atoms from two linear thiocyanate anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 30.8 (4)°. In the crystal, the complex molecules are stacked in columns along the a axis and are connected by intermolecular N—HN hydrogen bonds, forming supramolecular chains along the b axis.
metal-organic compounds
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In the title complex, [Pt(N3)4(C10H9N3)], the PtIV ion is six-coordinated in a slightly distorted octahedral environment by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and four N atoms from four azide anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 20.0 (3)°. The azide ligands are slightly bent [N—N—N = 173.5 (8)–175.1 (8)°]. In the crystal, the complex molecules are connected by N—HN hydrogen bonds, forming a chain along the b axis. An intermolecular π–π interaction between the chains is also present, the ring centroid–centroid distance being 3.713 (4) Å.
metal-organic compounds
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The PtII ion in the title complex, [PtBr2(C10H9N3)], is four-coordinated in an essentially square-planar environment by two N atoms from a chelating di-2-pyridylamine (dpa) ligand and two Br− anions. The dpa ligand is not planar, with the dihedral angle between the pyridine rings being 40.8 (2)°. The complex molecules are stacked in columns along [001] through π–π interactions between the pyridine rings [centroid–centroid distances = 3.437 (3) and 3.520 (3) Å]. Intermolecular N—HBr hydrogen bonds connect the molecules into chains running along [010]. Intramolecular C—HBr interactions are also observed.
metal-organic compounds
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In the title complex, [Pd(C7H3NO4)(C13H9N)], the PdII ion is four-coordinated in a distorted square-planar environment by one N and two O atoms from the tridentate pyridine-2,6-dicarboxylate (dipic) anionic ligand and one N atom of the acridine (acr) ligand. The dipic and acr ligands are nearly planar [maximum deviation = 0.069 (3) Å in dipic and 0.091 (4) Å in acr] and the dihedral angle between their mean planes is 58.67 (7)°. The Pd—O bond lengths are nearly equal, but the Pd—N bond lengths are slightly different. There is a short C—HO interaction in the molecule involving the two ligands. In the crystal, complex molecules are linked through C—HO interactions, forming a three-dimensional network. There are also a number of intermolecular π–π interactions present, the shortest ring centroid–centroid distance being 3.622 (3) Å.
metal-organic compounds
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The PtII ion in the title complex, [PtI2(C10H9N3)], is four-coordinated in a distorted square-planar environment defined by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and by two I− anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 52.8 (3)°. Pairs of complex molecules are assembled through intermolecular N—HI hydrogen bonds, forming a dimer-type species. The complexes are stacked in columns along the b axis and display several intermolecular π–π interactions between the pyridine rings, with a shortest ring centroid–centroid distance of 3.997 (5) Å.
metal-organic compounds
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In the title compound, [PtCl2(C9H7N)2]·CH3NO2, the PtII cation is four-coordinated in an essentially square-planar environment by two N atoms from two quinoline ligands and two Cl− anions. One of the nearly planar quinoline ligands [maximum deviations = 0.042 (6) and 0.018 (7) Å] is almost perpendicular to the PtCl2N2 unit [maximum deviation = 0.024 (3) Å], making a dihedral angle of 89.6 (1)°, whereas the other is slightly inclined to the central plane with a dihedral angle of 74.1 (1)°. The dihedral angle between the quinoline ligands is 88.3 (2)°. In the crystal, each solvent molecule is linked to the metal complex by weak intermolecular C—HO hydrogen bonds.
metal-organic compounds
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The asymmetric unit of the title compound, [Pd(C10H9N3)2](NO3)2, contains one half of a cationic PdII complex and one NO3− anion. In the complex, the PdII ion is four-coordinated by four pyridine N atoms derived from the two chelating dipyridin-2-ylamine (dpa) ligands. The PdII atom is located on an inversion centre, and thus the PdN4 unit is exactly planar. The dpa ligand itself is not planar, showing a dihedral angle between the pyridine rings of 39.9 (1)°. The anions are connected to the complex by intermolecular N—HO hydrogen bonds between the two O atoms of the anion and the N—H group of the cation. Weak intermolecular C—HO hydrogen bonds additionally link the constituents in the crystal structure. The NO3− anion was found to be disordered over two sites with a site-occupancy factor of 0.55 (10) for the major component.
metal-organic compounds
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In the title complex, [Pd(CH3COO)2(C10H9N3)], the PdII ion is four-coordinated in a slightly distorted square-planar environment by two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two O atoms from two anionic acetate ligands. The dpa ligand coordinates the PdII atom in a boat conformation of the resulting chelate ring; the dihedral angle between the pyridine rings is 39.3 (2)°. The two acetate anions coordinate the PdII atom as monodentate ligands and are located on the same sides of the PdN2O2 unit plane. The carboxylate groups of the anionic ligands appear to be delocalized on the basis of the C—O bond lengths. Two complex molecules are assembled through intermolecular N—HO hydrogen bonds, forming a dimer-type species. Intermolecular C—HO hydrogen bonds further stabilize the crystal structure.
metal-organic compounds
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The asymmetric unit of the title compound, [Pt(C10H9N3)2]Br2·H2O, contains two crystallographically independent half-molecules of the cationic PtII complex, two Br− anions and a lattice water molecule; an inversion centre is located at the centroid of each complex. Each PtII ion is four-coordinated in an essentially square-planar environment by four pyridine N atoms derived from the two chelating di-2-pyridylamine (dpa) ligands, and the PtN4 unit is exactly planar. The chelate ring formed by the dpa ligand displays a boat conformation, with dihedral angles between the pyridine rings of 35.9 (2) and 41.0 (2)°. The complex cations, Br− anions and solvent water molecules are linked by O—HBr, N—HBr, C—HO and C—HBr hydrogen bonds, forming a three-dimensional network.
metal-organic compounds
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In the title complex, [Pd(N3)2(C10H9N3)], the PdII ion is in a slightly distorted square-planar coordination environment. The ligator atoms comprise the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two N atoms from two azide anions. The dpa ligand coordinates the Pd atom in a boat conformation, the dihedral angle between the pyridine rings being 24.4 (1)°. The pyridine rings are somewhat inclined to the least-squares plane of the PdN4 unit, making dihedral angles of 29.02 (9) and 26.47 (9)°. The azide ligands are slightly bent, with N—N—N angles of 173.0 (4) and 174.2 (4)°. In the crystal, molecules are connected by N—HN and C—HN hydrogen bonds, forming chains along the c axis. When viewed down the b axis, successive chains are stacked in opposite directions. Intramolecular C—HN hydrogen bonds are also observed.
metal-organic compounds
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In the title complex, trans-[PtCl2(C9H7N)2], the PtII ion is four-coordinated in an essentially square-planar coordination environment defined by two N atoms from two quinoline (qu) ligands and two Cl− anions. The Pt atom is located on an inversion centre and thus the asymmetric unit contains one half of the complex; the PtN2Cl2 unit is exactly planar. The dihedral angle between the PtN2Cl2 unit and the quinoline ligand is 85.1 (1)°. In the crystal, the complex molecules are stacked into columns along the b axis. In the columns, several intermolecular π–π interactions between the six-membered rings are present, the shortest ring centroid–centroid distance being 3.733 (5) Å between pyridine rings.
metal-organic compounds
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The asymmetric unit of the title compound, K2[Pd(NCS)4]·2[Pd(NCS)2(C8H6N4)], contains two crystallographically independent half-molecules of the anionic PdII complex, two K+ cations and two independent neutral PdII complexes; an inversion centre is located at the centroid of each anionic complex. In the anionic complexes, each PdII ion is four-coordinated in an almost regular square-planar environment by four S atoms from four SCN− anions, and the PdS4 unit is exactly planar. In the neutral complexes, the PdII ion has a slightly distorted square-planar coordination environment defined by two pyrimidine N atoms derived from a chelating 2,2′-bipyrimidine ligand and two mutually cis S atoms from two SCN− anions. Both 2,2′-bipyrimidine ligands are almost planar [dihedral angle between the rings = 3.98 (16) and 4.57 (17)°] and also chelate to a potassium ion from their other two N atoms. In the crystal, the K+ ions interact with various S and N atoms of the ligands, forming a three-dimensional polymeric network, in which the shortest KK contacts between the KN7S polyhedra are 4.4389 (17) and 4.4966 (18) Å. Intra- and intermolecular C—HS and C—HN hydrogen bonds are also observed.
metal-organic compounds
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The PdII ion in the title complex, [PdBr2(C18H12N2)], is four-coordinated in a distorted square-planar environment by the two N atoms from the chelating 2,2′-biquinoline (Biqu) ligand and two mutually cis Br− anions. The Biqu ligand is not planar, the dihedral angle between the quinoline systems being 17.2 (2)°. In the crystal, the complex molecules are connected by C—HBr hydrogen bonds, forming chains along the c axis. When viewed down the b axis, successive chains are stacked in opposite directions. Intramolecular C—HBr hydrogen bonds are also observed.
metal-organic compounds
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In the title complex, [Pt(NCS)2(C8H6N4)], the PtII ion is four-coordinated in a distorted square-planar environment defined by two pyrimidine N atoms derived from a chelating 2,2′-bipyrimidine (bpym) ligand and two mutually cis N atoms from two SCN− anions. The thiocyanate ligands are almost linear, displaying N—C—S bond angles of 178.6 (11) and 173.7 (11)°, and the N atoms are slightly bent coordinated to the Pt atom with Pt—N—C bond angles of 172.7 (9) and 160.4 (10)°. In the crystal, molecules are held together by C—HS hydrogen bonds. Intramolecular C—HN hydrogen bonds are also observed
metal-organic compounds
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The PtII ion in the title complex, [PtI2(C14H10N4)], exists in a distorted square-planar environment defined by the two pyridine N atoms of the chelating 2,3-di-2-pyridylpyrazine ligand and two iodide anions. The pyridine rings are inclined to the least-squares plane of the PtI2N2 unit [maximum deviation = 0.070 (3) Å] at 66.1 (2) and 65.9 (2)°; the pyrazine ring is perpendicular to this plane [dihedral angle = 89.7 (2)°]. Two intermolecular C—HI hydrogen bonds, both involving the same I atom as hydrogen-bond acceptor, generate a layer structure extending parallel to (001). Molecules are stacked in columns along the a axis. Along the b axis, successive molecules stack in opposite directions.
metal-organic compounds
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In the title complex, [PdI2(C8H6N4)], the PdII ion is four-coordinated in a slightly distorted square-planar environment defined by two pyrimidine N atoms derived from a chelating 2,2′-bipyrimidine (bpym) ligand and two mutually cis iodide anions. The nearly planar bpym ligand [maximum deviation = 0.053 (3) Å] is slightly inclined to the least-squares plane of the PdI2N2 unit [maximum deviation = 0.055 (2) Å], making a dihedral angle of 3.9 (2)°. In the crystal, pairs of complex molecules are assembled by intermolecular C—HN hydrogen bonds into dimers. Intramolecular C—HI hydrogen bonds are also observed.
metal-organic compounds
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The PtIV ion in the title complex, [PtBr4(C10H9N3)], is six-coordinated in a slightly distorted octahedral environment by two pyridine N atoms from a chelating di-2-pyridylamine (dpa) ligand and four Br− anions. The complex molecule has mirror symmetry, with the PtIV atom, two Br atoms and the central N atom of the dpa ligand lying on the mirror plane. The dpa ligand is not planar, showing a dihedral angle of 34.7 (2)° between the pyridine rings. The complex molecules are connected by intermolecular N—HBr hydrogen bonds, forming chains along [001]. Intermolecular C—HBr hydrogen bonds and π–π interactions between the pyridine rings [centroid–centroid distance = 3.667 (4) Å] are also observed.
metal-organic compounds
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The PdII ion in the title complex, [PdI2(C10H9N3)], is four-coordinated in a distorted square-planar environment defined by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two I− anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 51.2 (2)°. In the crystal, pairs of complex molecules are assembled through intermolecular N—HI hydrogen bonds into dimeric species. The complexes are stacked in columns along the b axis and display several intermolecular π–π interactions between the pyridine rings, with a shortest ring centroid–centroid distance of 3.957 (3) Å.
metal-organic compounds
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The PdII atom of the title salt, [Pd(C10H9N3)2](NCS)2, lies on a center of inversion and exists in a square-planar environment defined by the four pyridine N atoms derived from the two chelating di-2-pyridylamine (dpa) ligands. The chelate ring displays a boat conformation with a dihedral angle between the pyridine rings of 43.0 (1)°. Adjacent thiocyanate ions are linked to the cations by N—HN hydrogen bonds.
metal-organic compounds
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In the title complex, [PtBr2(C11H9N)2], the PtII ion has a distorted cis-Br2N2 square-planar coordination geometry defined by two N atoms from two 2-phenylpyridine (ppy) ligands and two Br− anions. The ppy ligands are not planar, the dihedral angles between the pyridine and benzene rings being 49.0 (3) and 47.3 (3)°. In the crystal, the complex molecules are stacked in columns along the a axis. In the columns, there are numerous intra- and intermolecular π–π interactions between the six-membered rings, the shortest ring centroid–centroid distance being 3.774 (6) Å.
organic compounds
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The title compound, C17H20N2O3, is a Schiff base, which is found as a zwitterion in the solid state. The geometry around the iminium N atom indicates sp2-hybridization. The zwitterion shows a strong intramolecular N—HO hydrogen-bond interaction between the iminium N atom and the phenolate O atom.
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The title compound, C24H24N2O4·CH3CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-ethoxy-6-methylphenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-ethoxyphenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the molecule, there are strong O—HN and O—HO hydrogen bonds. In the crystal, molecules are connected by bifurcated O—H(O,O) hydrogen bonds, forming chains propagating along [010].
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The title compound, C17H16N4O6, is a Schiff base, which is found as a bis-zwitterion in the solid state. The geometry around the iminium N atom indicates sp2-hybridization. The diiminiumpropylene chain is in an approximate double-gauche conformation, with average N—C—C—C torsion angles of 69.3°. The zwitterion shows strong intramolecular N—HO hydrogen bonds between the iminium N and phenolate O atom. In the crystal, bifurcated N—H(O,O) hydrogen bonds assemble pairs of molecules into inversion dimers.
organic compounds
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The title compound, C20H20Br2N2O2, a tetradentate Schiff base, is the enantiomerically pure R,R-diastereomer of four possible stereoisomers. The molecular structure reveals two strong intramolecular O—HN hydrogen bonds between the hydroxy O atom and the imino N atom, which each generate S(6) rings. In the crystal, molecules are stacked in columns along the a axis; when viewed down the b axis, successive columns are stacked in the opposite direction. The structure reported herein is the monoclinic polymorph of the previously reported orthorhombic form [Yi & Hu (2009). Acta Cryst. E65, o2643], in which the complete molecule is generated by a crystallographic twofold axis.
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In the title solvate, C24H24N2O4·CH3NO2, the benzene ring of the 2-ethoxy-6-methylphenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-ethoxyphenol group is somewhat inclined to the benzimidazole ring plane by 28.03 (5)°. The dihedral angle between the benzene rings is 82.20 (9)°. The compound reveals strong intramolecular O—HN and O—HO hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, molecules are connected by bifurcated O—H(O,O) hydrogen bonds, forming chains along the b axis.