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ISSN: 2414-3146

August 2017 issue

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Cover illustration: The organic fluoro­phores commonly known as BODIPY dyes are a class of compounds that are characterized by intense fluorescence, high stability and relatively small Stokes shifts. In 2-[4-(di­methyl­amino)­phen­yl]-3,3-di­fluoro-3H-naphtho­[1,2-e][1,3,2]oxaza­borinin-2-ium-3-uide, a twist about the N-C single bond is observed, making the cross conjugation not as efficient as in the case of a planar structure. The borone complex displays a tetra­hedral geometry. In the crystal, mol­ecules are conected by weak C-H...F hydrogen bonds. See: Dziuk, Osmialowski, Skotnicka, Ejsmont & Zarychta [IUCrData (2017). 2, x171141].

metal-organic compounds


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In the title compound, the metal atom is in a pyramidal coordination geometry. Two tri­fluoro­methane­sulfonate ions are connected via hydrogen bonds to the coordinating water mol­ecule. The crystal structure features C—H⋯N, C—H⋯O and C—H⋯F inter­actions.

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Reaction of AgI thio­cyanate with 1-(4-nitro­phen­yl)thio­urea and tri­phenyl­phosphane leads to a mononuclear Ag(C18H15P)3(SCN) complex. In the crystal, C—H⋯N hydrogen bonds linked mol­ecules into a two-dimensional network.

organic compounds


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The title tetra­cyclic steroidal compound was isolated from the Indian herb A. reticulata. It crystallizes with two independent mol­ecules in the asymmetric unit together with a single water mol­ecule that links the two mol­ecules via O—H⋯O hydrogen bonds.

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The title compound crystallizes in the non-centrosymmetric space group Cc. F atoms are involved in all of the short inter­molecular contacts of the crystal structure.

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The title salt crystallizes with one independent cation and anion in the asymmetric unit. In the crystal, they are linked to one another by C—H⋯O, C—H⋯N, N—H⋯N, and N—H⋯O hydrogen bonds. Two C—H⋯π inter­actions also occur.

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The crystal structure of the S-oxide of 2,3-di­hydro-4H-pyrido[3,2-e]thia­zin-4-one, reported on herein, is extremely similar to that of S-oxide of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one. The thia­zine rings have screw-boat conformations and the S-oxide O-atoms are pseudo-axial on the thia­zine ring.

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In the title compound,the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°]. In the crystal, C—H⋯O hydrogen bonds involving the disordered phospho­nate O atom as acceptor occur, which generate [100] chains.

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The title compound is almost planar (r.m.s. deviation for the non-H atoms = 0.050 Å). In the crystal, C—H⋯O and C—H⋯N hydrogen bonds link the mol­ecules into (10-2) layers.

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The crystal structure of the title compound features C—H⋯F and C—H⋯O hydrogen bonds.

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n the title compound, a twist about the N—C single bond is observed, making the cross conjugation not as efficient as in the case of a planar structure. The borone complex displays a tetra­hedral geometry. In the crystal, mol­ecules are conected by weak C—H⋯F hydrogen bonds.

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The mol­ecular and crystal structure of an amino­acetate derivative is reported. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules, forming chains propagating along the a-axis direction.

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The title compound crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, A mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming AA inversion dimers. The same situation is observed for the B mol­ecules, and both sets of inversion dimers enclose R_{2}^{2}(14) ring motifs.

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The title mol­ecule is a new polymorphic modification (β-phase). The structure features intra­molecular O—H⋯N and C—H⋯O and inter­molecular C—H⋯O hydrogen bonds, as well as offset π–π-stacking and C—H⋯π(ring) inter­actions.

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A salt of salbutamol combined with acrylic acid was investigated. In the asymmetric unit, there is a protonated salbutamol cation and an acrylate anion. The acrylate anion is linked to the salbutamol cation via and O—H⋯O and an N—H⋯O hydrogen bond. The C=C moiety of the acrylate anion is disordered over two positions. The crystal structure is stabilized by N—H⋯O and O—H⋯O hydrogen-bonding inter­actions.

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In the crystal, mol­ecules are linked into a three-dimensional supra­molecular network by N—H⋯N, N—H⋯O, C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions.

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The title hydrated salt crystallized with one independent cation, an anion and half a water mol­ecule in the asymmetric unit. In the crystal, they are linked to one another with C—H⋯Cl, O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonds. Furthermore, the crystal structure is stabilized by two weak C—H⋯π inter­actions.

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The mol­ecules of the title compound are arranged in layers parallel to the ab plane.

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In the title compound, the carboximidamide unit is in an anti­clinal conformation with respect to the cyclo­hepta­thio­phene moiety and an intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, N—H⋯O hydogen bonds link the mol­ecules into [010] C(6) chains and a very weak C—H⋯O inter­action is also observed.

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The ammonium hydrogen bis­[(3-chloro-2-methyl­phen­oxy)acetate] anion structure comprises two inversion-related components linked through a short symmetric carboxyl­ate O⋯H⋯O hydrogen bond in which the delocalized H atom lies on an inversion centre, with the ammonium cation disordered on a second inversion centre, giving an overall two-dimensional layered supra­molecular structure through N—H⋯O hydrogen bonds.

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Two hexa­chloro­hexynediols form centrosymmetric dimers connected via hydrogen bonds. These dimers are connected by water mol­ecules, resulting in two-dimensional layers parallel to the ab plane.

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The conformation of the title mol­ecule is essentially planar and is stabilized by inter­molecular π–π contacts.
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