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ISSN: 2414-3146

February 2016 issue

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Cover illustration: The crystal structure of the hydrated double salt Cs+·[N(CH3)4]+·[B12H12]2-·H2O is stabilized by a three-dimensional network of O-H...H-B and C-H...H-B di­hydrogen bonds. See: Tiritiris & Schleid [IUCrData (2016). 1, x160291].

metal-organic compounds


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In the crystal of the complex comprising a [Pt(1,10-phen)2]2+ complex cation (1,10-phen = 1,10-phenanthroline), two 3-sulfobenzoate anions and two lattice water mol­ecules, the anions and water mol­ecules form hydrogen-bonded centrosymmetric dimers. In addition, π–π inter­actions are observed between 1,10-phenanthroline ligands and 3-sulfobenzoate anions.

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In the structure of N-ferrocenymethyl-N-phenyl­acetamide, the asymmetric unit comprises two unique mol­ecules with the two cyclo­penta­dienyl rings of each ferrocene residue nearly eclipsed and parallel to one another. In the crystal, C—H⋯O hydrogen bonds stack mol­ecules along a.

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The title compound is a one-dimensional helical coordination polymer. The C—Ag—N bond angle is 168.3 (1)°.

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The crystal structure of [(bipy)(μ-Cl)NiCl(DMF)]2 is reported. The compound exists as a dimer with two octa­hedral nickel atoms.

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In the hydrated title compound, the crystal structure is stabilized by B—H⋯H—O and B—H⋯H—C di­hydrogen bonds.

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The asymmetric unit of the solvated title salt comprises two cations, one half [Bi4Cl16]4− ion and one aceto­nitrile mol­ecule. The C—N bond lengths in both guanidinium ions indicate double-bond character, pointing towards charge delocalization within the NCN planes. The crystal structure is stabilized by a three-dimensional network of C—H⋯Cl hydrogen bonds.

organic compounds


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The bond lengths in the cation of the title salt, C12H24N42+.2 C24H20B, indicate delocalization of the positive charges over the di­methyl­amino groups.

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The title compound, C11H10O3, contains two crystallographically independent mol­ecules with similar conformations (r.m.s. overlay fit = 0.105 Å); both form carb­oxy­lic acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds in the crystal.

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The crystal structure of 6-fluoro-1H-indole-2,3-dione is reported. In the crystal N—H⋯O, C—H⋯O and C—H⋯F inter­actions are present.

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The 15 non-H atoms in the title compound are coplanar with the methyl group sitting prime to the plane. Supra­molecular undulating ribbons sustained by C—H⋯O inter­actions are found in the crystal structure.

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The title mol­ecule, C18H18N2O5, is close to planar (r.m.s. deviation = 0.173 Å). Weak C—H⋯O inter­actions and aromatic π–π stacking occur in the crystal.

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In the crystal of the title compound, C17H19NO3S2, inversion dimers linked by pairs of weak C—H⋯O hydrogen bonds generate R_{2}^{2}(16) loops.

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In the title compound, C18H21NO2S2, the dihedral angle between the coumarin unit and the piperidine ring is 60.54 (8)°.

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The crystal structure of 5-bromo-1H-indole-2,3-dione is reported. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O inter­actions.

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The fused cyclic system of the title compound, commonly known as limonin, consists of a cyclo­hexane, a cyclo­hexa­none, a furan, an epoxide and two lactone rings.

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The crystal structure of C13H19Cl2N2+·Cl determined at 100 K resolves the disorder of the chloro­propyl group that was observed in the room-temperature structure.

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In the solvated title compound, the C—N bonds in the CN3 unit of the dication show partial double-bond character and one positive charge is delocalized. The second positive charge is localized in the tri­methyl­ammonium group. The crystal structure is stabilized by N—H⋯O and C–H⋯O hydrogen bonds. C—H⋯π inter­actions are present between the guanidinium H atoms and the phenyl C atoms of the tetra­phenyl­borate ions.

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The title compound, which is an analogue of ligands used in olefin polymerization catalysts, crystallizes with two mol­ecules in the asymmetric unit, both of which feature intra­molecular O—H⋯N hydrogen bonds.

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In the 6H-dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium cation, the central 1,3,5-triazinium ring has a flat boat conformation and the outer heterocyclic rings are nearly planar. In the crystal, classical O—H⋯Br hydrogen bonds and weak C—H⋯Br and C—H⋯O hydrogen bonds link the cations, bromide anions and lattice water mol­ecules into a three-dimensional supra­molecular network.

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The title compound crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, the mol­ecules are linked to one another via N—H⋯O hydrogen bonds forming –ABAB– chains along [100].

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In the title di­thio­carbazate derivative, the tri­meth­oxy­phenyl group and the di­thio­carbazate fragment lie almost in the same plane; the mean plane of the di­thio­carbazate unit being inclined to the tri­meth­oxy­phenyl ring by 13.34 (6)°.

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The crystal packing of the compound does not feature any specific strong or weak inter­molecular inter­actions.

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In the crystal structure of 4-iodo-1H-indole-2,3-dione, both N—H⋯O hydrogen bonds and I⋯O and π–π inter­actions are observed.

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In the solvated title compound, the C—N bonds in the CN3 units of both dications show partial double-bond character and one positive charge is delocalized. The second positive charge is localized in the tri­methyl­ammonium groups. The crystal structure is stabilized by C—H⋯O and C—H⋯π inter­actions.

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The title compound displays a `propeller-like' structure, with the mean planes of the two alloxan units almost normal with respect to the central aromatic ring and inclined to one another by 40.86 (7)°. This compound can be used as a model for possible binding to a solid phase for separation techniques of certain ion-pairs from aqueous solutions.

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The nearly planar title mol­ecules are linked by a pairs of N—H⋯O inter­actions into an inverson dimer. The dimers are connectec by weak H⋯Cl inter­actions into a two-dimensional hydrogen-bonded polymer and stacked along the b axis, connected by weak π–π inter­actions. An in silico evaluation of the title compound with an topoisomerase enzyme was performed and several inter­molecular inter­actions can be assigned.

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The crystal structure of 4-bromo-1H-indole-2,3-dione is reported. In the crystal, N—H⋯O, Br⋯O and π–π inter­actions are present.

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The crystal structure of 7-bromo-1H-indole-2,3-dione is reported. In the crystal, N—H⋯O, Br⋯O and π–π inter­actions are present.

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The mol­ecule is a double zwitterion with two of the carb­oxy­lic acid H atoms transferred to the two N atoms. Inter­molecular N—H⋯O and O—H⋯O hydrogen bond involving the ammonium groups, the carboxyl­ate groups and the water mol­ecules are observed.

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The bicyclic core of the title compound is slightly folded [1.9 (1)°], while pairwise inter­molecular N—H⋯O hydrogen bonding forms dimers across centers of symmetry.

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Inter­action of the aryl­amido germylene [Ph2Si(DippN)2Ge:] with elemental sulfur afforded a new germane­thione dimer and its structure is reported here.

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The mol­ecular and crystal structure of the centrosymmetric 2,5-dimeth­oxy-3,4,6-tri­methyl­benzaldehyde is reported. The methyl and aldehyde substituents are disordered over four carbon atoms of the benzene ring.

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The cyanide group is anti to the iodide substituent of the adjacent benzene ring. Supra­molecular C(8) chains, mediated by C—H⋯N inter­actions, are found in the mol­ecular packing.
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