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Journal logoIUCrDATA
ISSN: 2414-3146

December 2016 issue

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Cover illustration: 1,4-Bis{5-[bis­(propan-2-yl­oxy)phosphor­yl]thio­phen-2-yl}-2,5-di­propoxybenzene was prepared by the nickel-catalyzed reaction of bis­(5-bromo­thien­yl)dipropoxybenzene and triisopropyl phosphite. Four hydrogen bonds connect the mol­ecules, which are arranged in ribbons parallel to the bc plane. See: Detert & Schollmeyer [IUCrData (2016). 1, x161963].

metal-organic compounds


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This study concerns a redetermination of the structure of the polymeric lead(II) thio­urea complex: [Pb(C2H3O2)2{SC(NH2)2}]n with diffractometer instead of photographic data and at the lower temperature of 100 K.

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The title compound consists of two phospharhodacyclic substructures sharing one Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bis­phosphite, respectively.

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The angular pyridyl-based ligand 3,5-bis­(pyridin-4-ylethyn­yl)pyridine was employed to react with HgCl2 and lead to the formation of a zigzag polymer chain structure.

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In a neutral IrIII complex with 1,2-diphenyl-1Hbenzimidazole and 2-benzoyl-1-phenyl­ethenolate ligands, the coordination sphere of the IrIII atom is that of a slighlty distorted C2N2O2 octa­hedron, with the N atoms in a trans configuration.

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The title compound is composed of an aluminium centre coordinated by three bidentate thio­pyridazine ligands in an octa­hedral environment.

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The manganese(II) salt of p-arsanilic acid features a centrosymmetric [Mn(H2O)6]2+ cation species and inversion-related hydrogen (4-amino­phen­yl)arsonilate cations which, together with four water mol­ecules of solvation, generate a three-dimensional structure through extensive O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonding.

organic compounds


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In the title compound, the oxazoline ring displays a twisted conformation on the –CH2–CH2– bond and its mean plane makes a dihedral angle of 57.4 (1)° with the benzimidazole ring mean plane. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming chains propagating along the a-axis direction.

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In the title compound, the dihedral angle between the aromatic rings is 8.64 (10)°. The crystal structure features inversion-related dimers linked by pairs of N—H⋯N hydrogen bonds, generating R_{2}^{2}(8) loops. A further N—H⋯N hydrogen bond links the dimers into (100) sheets.

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A new monoclinic form of 4-nitro­phenyl­acetic acid differs from the known ortho­rhom­bic form both in is mol­ecular conformation and in its inter­molecular contacts. The plane of the carb­oxy­lic acid group is more nearly perpendicular to the plane of the aromatic ring than in the previous form. Both polymorphs display hydrogen-bonded R_{2}^{2}(8) carb­oxy­lic acid dimeric pairs, but here neighbouring dimers inter­act through nitro–nitro N⋯O dipole–dipole contacts rather than the nitro–carbonyl contacts found in the ortho­rhom­bic form.

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The structure of the title mol­ecule is reported. N—H⋯N and C—H⋯O together with C—H⋯π(ring) and π–π stacking inter­actions stabilize the crystal structure.

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The title mol­ecular compound crystallized in the space group P21. The 3,4-di­hydro-2H-pyran-4-one moiety makes a dihedral angle of 42.76 (10)° with the phenyl group. The crystal structure is stabilized by C—H⋯O inter­actions, forming a three-dimensional network enclosing an R_{2}^{1}(6) ring motif along the c axis. A short intra­molecular O⋯O contact is found giving rise to an S(5) motif.

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The title compound was prepared by methyl­ation of the selena­diazole with methyl iodide. In the crystal, three independent selena­diazo­lium ions are arranged in layers connected via I3·(I)2 anion layers.

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In the title compound, the prop-2-yn-1-yl group is inclined to the benzene ring by 69 (7)°. In the crystal, mol­ecules are linked by a pair of C—H⋯O hydrogen bonds, forming inversion dimers with an R_{2}^{2}(12) ring motif.

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In the title compound, the triazepine ring displays a boat conformation and its mean plane is inclined to the triazole ring by 22.10 (9)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains parallel to [010].

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The complete mol­ecule of the title compound is generated by crystallographic twofold symmetry, with the Si atom lying on the rotation axis. The mol­ecule adopts a V-shape. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into [101] chains.

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In the title compound, the arene rings are inclined at an angle of 65.97 (6)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming chains propagating along the b-axis direction.

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The title compound crystallizes in the triclinic space group P-1. The previously reported polymorph occurs in the monoclinic space group P21/c and has two independent mol­ecules in the asymmetric unit [Wang (2010). Acta Cryst. E66, o2822].

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The asymmetric unit of the title compound consists of two independent mol­ecules (A and B) differing in the conformation of the thia­zole ring; twisted for mol­ecule A and planar for mol­ecule B. In the crystal, the two mol­ecules are linked by a C—H⋯N hydrogen bond.

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In the crystal of the organic salt C5H6BrN2+·C8H7O3, the cations and the anions are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming a helical chain.

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In the title chalcone derivative, the dihedral angle between the benzene rings is 3.97 (8)°. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming C(9) chains propagating along the [010] direction.

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The large side chain is nearly perpendicular to the mean plane of the triazolo­pyrimidine ring system. The only significant inter­molecular inter­action in the crystal is a C—H⋯O hydrogen bond.

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The packing of the title mol­ecule is directed by C—H⋯O, C—H⋯π(ring) and offset π–π stacking inter­actions. These generate small channels running parallel to the a axis with approximate cross-sections of 3.7 × 8.1 Å.

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The crystal structure of this triazolo­pyrimidine derivative features C—H⋯N hydrogen bonds, Br⋯N halogen bonds, π–π stacking inter­actions and Br⋯π contacts, which combine to stack the mol­ecules along the a-axis direction.

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The mol­ecular and crystal structure of a chloro­thio­phene derivative is reported. In the crystal, the mol­ecules are linked by weak hydrogen bonds, forming chains propagating along the c axis.

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In the title compound, the pyrazole ring makes dihedral angles of 39.74 (8) and 60.35 (8)° with the phenyl and toluene rings, respectively. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming chains propagating along [100].

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The title compound was prepared by the nickel-catalyzed reaction of bis­(5-bromo­thien­yl)dipropoxybenzene and triisopropyl phosphite. Four hydrogen bonds connect the mol­ecules, which are arranged in ribbons parallel to the bc plane.

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The complete mol­ecule of the title compound, C28H24N6S4, is generated by crystallographic inversion symmetry. In the crystal, mol­ecules are linked by C—H⋯π and π–π inter­actions.

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In the title compound, the piperidine ring adopts a slightly distorted chair conformation. In the crystal, mol­ecules are linked via O—H⋯N hydrogen bonds, forming C(7) chains along the c axis.

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In the title compound, the cyclo­hexane ring adopts a chair conformation. The crystal structure features C—H⋯S hydrogen bonds.

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In the title mol­ecule, the seven-membered ring adopts a boat conformation. Pairwise C—H⋯π(ring) inter­actions form centrosymmetric dimers which pack in zigzag layers associated through weak C—H⋯O hydrogen bonds.

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In the title compound, the triazole ring is inclined to the chromene ring system by 78.3 (2)°. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds into helical supra­molecular chains along the b axis.

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The cation and anion are linked by an N—H⋯Cl hydrogen bonded, while weak C—H⋯N, C—H⋯O and C—H⋯Cl inter­actions are present in the extended structure.

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In the title enaminone, the dihedral angle between the aromatic rings is 86.34 (9)° and an intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into (010) double sheets.

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The structure of the levulinic acid derivative (Z)-3-(4-methyl­benzyl­idene)-4-oxo­penta­noic acid is reported. The crystal structure is stabilized by inter­molecular hydrogen bonds.

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The title imidazo[4,5-b]pyridine derivative crystallizes with two independent mol­ecules in the asymmetric unit. They differ primarily in the conformations of the ester substituents. In the crystal, mol­ecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to the ab plane.

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In the title crystal, chains extending in the b-axis direction are formed by inter­molecular C—H⋯O hydrogen bonds. The chains are arranged into layers by π–π stacking inter­actions between the substituted pyridine rings.

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In the title compound, the methyl-substituted benzene ring is twisted relative to the 4H-chromenon skeleton by 51.5 (2)°. The C atom of the meth­oxy group of the 4H-chromenon unit is displaced from the ring plane by 1.225 (2) Å. In the crystal, C—H—O inter­actions connect the mol­ecules into (001) sheets.

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The mol­ecular and crystal structure of a fluorene amine derivative is reported. The crystal structure is stabilized by C–H⋯π(ring) contacts.
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