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ISSN: 2414-3146

March 2016 issue

Highlighted illustration

Cover illustration: The mol­ecules of 7-iodo-1H-2,3-dione dimerize in the solid state through N-H...O hydrogen bonds. Inter­molecular I...O close contacts link the mol­ecules into infinite chains along [20-1]. See: Golen & Manke [IUCrData (2016). 1, x160412].

metal-organic compounds


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In the crystal structure of the title dicopper(II) complex, the CuII centre adopts a Jahn–Teller-distorted octa­hedral coordination geometry. The bonds to the equatorial ligands are significantly shorter than those to the axial ligands.

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The complex binuclear silver cation in the title salt is centrosymmetric, with the bridging Cl atom located on the inversion centre.

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Three 2,6-bis­(tri­methyl­silyl­amino)­pyridine ligands coordinate a lithium cation in a tetra­hedral coordination environment.

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The asymmetric unit of the title salt comprises one cation and two independent (1/6) fragments of the [Bi3I12]3− ions. The C—N bond lengths in the guanidinium ion indicate partial double-bond character, pointing towards charge delocalization within the NCN planes.

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The mol­ecular structure of the first isocyanide complex with GaCl3 is presented.

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In the title compound, there are two types of ZnII complex ions. In one, the ZnII cation is coordinated by a Wells–Dawson polyanion [α-P2W18O62]6− (POM) via a terminal O atom. The two independent [Zn(C2H6OS)6]2+ cations exhibit similar distorted octa­hedral coordination geometries.

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The asymmetric unit of the title salt, (C13H24N3)3[Bi2I9], comprises two tris­(pyrrolidin-1-yl)carbenium cations and one half of the [Bi2I9]3− ion. The C—N bond lengths of the CN3 units in both cations indicate partial double-bond character, pointing towards charge delocalization within the NCN planes.

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The IrIII atom in the cation of (4,4′-dimeth­oxy-2,2′-bi­pyridine)­bis­[2-(pyridin-2-yl)phen­yl]iridium hexa­fluorido­phosphate has a distorted octa­hedral geometry defined by a cis-C2N4 donor set.

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The crystal structure consists of Rb+ ions sequestered by a [2.2.2]cryptand mol­ecule and 4,4′-bipyridinidyl monoanions. The building units are arranged in the sense of a distorted rock salt type of structure.

organic compounds


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The title compound is approximately planar. In the crystal, mol­ecules are stacked in a column along the b axis through π–π inter­actions.

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In the title compound, the hy­droxy­phenyl ring is twisted by 35.42 (11)° from the plane of the pyrazoline ring. The keto O atom is involved in two intra­molecular O—H⋯O hydrogen bonds, which generate S(6) ring motifs.

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In the title compound, there is asymmetry with respect to the O—C=O bond angles. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains along [010]. In addition, weak C—H⋯O hydrogen bonds link these chains, forming a three-dimensional network.

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In the racemic title compound, the dihedral angle formed by the mean planes of the cyclo­propane and benzene rings is 5.0 (2)°. In the crystal, a pair of weak C—H⋯O hydrogen bonds connect two mol­ecules related by a twofold rotation axis, thus forming a dimer with an R_{2}^{2}(10) motif.

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In the title compound, the hexyl chain has an extended conformation. In the crystal, mol­ecules are linked via O—H⋯O and N—H⋯O hydrogen bonds, forming slabs parallel to (001).

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In the crystal of the title compound, N—H⋯N hydrogen bonds link the mol­ecules into [010] chains.

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The crystal structure of C7H5BrO3 features carb­oxy­lic acid inversion dimers and short Br⋯Br contacts [3.4442 (5) Å].

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The mol­ecular structure of tetra­methyl­ammonium tri­fluoro­methane­sulfonate (tri­fluoro­methane­sulfonate) is presented. The solid-state structure of very few tetra­alkyl­ammonium tri­fluoro­methane­sulfonate salts have been determined.

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The crystal structure of trans-4-methyl­cyclo­hexyl tosyl­ate is reported. The structure demonstrates a flattening of the cyclo­hexyl ring from the ideal chair conformation.

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In the crystal structure of 5-bromo-1-octylindoline-2,3-dione, there are two independent mol­ecules in the asymmetric unit having different orientations and linked by a hydrogen bond.

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In the title compound, the isatin (indole-2,3-dione) moiety is planar (r.m.s. deviation = 0.022 Å) and its mean plane makes a dihedral angle of 74.19 (12)° with the benzyl ring. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming C(6) chains propagating along the b-axis direction.

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In the title compound, the dihedral angle between the benzene rings of the biphenyl unit is 1.54 (13)° and the C—O—C—C torsion angle is 174.4 (2)°. In the crystal, very weak C—H⋯π inter­actions link the mol­ecules into a three-dimensional network.

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In the title isatin derivative, the dihedral angle between the mean plane of the indoline ring system and that of the propynyl chain is 73 (8)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming zigzag chains propagating along [010].

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The mol­ecules of 7-iodo-1H-2,3-dione dimerize in the solid state through N—H⋯O hydrogen bonds. Inter­molecular I⋯O close contacts link the mol­ecules into infinite chains along [20\overline{1}].

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In the title hydrazide compound, the meth­oxy­phenyl ring and the methyl­benzyl­idene ring are inclined to one another by 60.43 (5)°. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds, forming chains along [001].

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The title compound crystallizes with two mol­ecules in the asymmetric unit with different conformations to the ethanol side chain; one is gauche and the other is anti. In the crystal, [100] chains of alternating mol­ecules are linked by O—H⋯O hydrogen bonds.

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In ethyl 2-(4-chloro-3-methyl­phen­oxy)acetate, the pendant ethyl chain has an extended conformation and lies in the plane of the substituted benzene ring. The crystal structure features inversion-related dimers linked by pairs of benzene–carbonyl C—H⋯O hydrogen bonds, generating R_{2}^{2}(16) loops.

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In the title mol­ecule, C13H7Cl2FO2, the planes of the two aromatic rings are inclined to one another by 49.96 (12)° and the keto group is twisted at an angle of 66.3 (3)° out of the 2-chloro-6-fluoro­phenyl plane. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains extending in the [010] direction and weak C—H⋯Cl inter­actions link these chains into sheets parallel to the (101) plane.

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The title di­hydro­coumarin was synthesized via a microwave-assisted hydro­aryl­ation reaction. The mol­ecule is L-shaped with the 4-meth­oxy­phenyl ring being inclined to the mean plane of the coumarin moiety by 78.21 (9)°. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming ribbons along [010].

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The title mol­ecule has an `extended' conformation. The mol­ecules form chains through N—H⋯N and C—H⋯O hydrogen bonds.

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The title compound, (MeS)2C=N—C N, has a planar environment around the imido C atom (sp2) and a linear one around the cyanide C atom (sp); the CN bonds are triple, double and single.

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In an effort to evaluate the anti­tubercular activity of vanillin-based pyrazoles, the title compound was synthesized. The mol­ecule is twisted with the benzene rings being inclined to the mean plane of the pyrazole ring by 56.78 (9) and 9.7 (1)°.

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In the title compound, the diazole ring adopts a shallow envelope conformation with the methine C atom bonded to the adjacent chloro­benzene ring as the flap. In the crystal, weak C—H⋯Cl inter­actions connect the mol­ecules into [001] chains.

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In the title compound, the dihedral angle between the aromatic rings is 41.15 (12)° and both side chains exhibit extensive disorder. No directional inter­actions beyond van der Waals contacts could be identified in the crystal.

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The asymmetric unit of the title salt comprises one orientationally disordered cation and one anion. The C—N bond lengths in the guanidinium ion indicate double-bond character, pointing towards charge delocalization within the NCN planes. The C—C bond lengths in the anion indicate partial double-bond character and delocalization of the negative charge within the CCC planes.

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The prop-2-yn-1-yl substituent is substanti­ally twisted out of the plane of the indazole moiety. The packing features the formation of weak dimers via pairwise C—H⋯O inter­actions across centers of symmetry.

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The crystal structure of 4-methyl-(-)-menthone 3-thio­semicarbazone is reported. The compound crystallizes as a non-centrosymmetric dimer, which matches the asymmetric unit forming a R_{2}^{2}(8) loop. The mol­ecules are connected by N—H⋯S inter­actions into a two-dimensional hydrogen-bonded polymer.

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In the crystal, the title mol­ecule has an `extended' conformation. Pairwise N—H⋯N and C—H⋯O hydrogen bonds form `stair-step' chains.

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The packing in the title mol­ecule is aided by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds.

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A weak C—H⋯O hydrogen bond links the two unique mol­ecules in the asymmetric unit of the title compound. π–π-stacking inter­actions between neighboring dimeric units form tetra­mers which pack without other short contacts.

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There are two mol­ecules with different conformations in the asymmetric unit of the title compound.

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In the title compound, the dihedral angle between the rings is 34.84 (7)°. An intra­molecular N—H⋯N hydrogen bond generates an R(6) ring.

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The title compound is a salt containing two 4-(5-anilino-1,3,4-thia­diazol-2-yl)pyridinium cations and a sulfate anion. In the crystal, mol­ecules are connected by inter­molecular hydrogen bonds and π–π contacts, forming a three-dimensional structure.

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In the mol­ecule of the title compound, the ace­naphtho­[1,2-j]fluoranthene-4,5-dicarboximide framework has an approximately planar structure. Two of the tert-butyl groups are disordered over two sets of sites. An inter­molecular short contact between a methyl group and the aromatic ring occurs in the crystal structure.
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