Crystal structure of 8-(4-methyl­phen­yl)-2′-de­oxy­adenosine hemihydrate

8-(4-Methyl­phen­yl)-2′-de­oxy­adenosine was synthesized using a Suzuki–Miyaura cross-coupling reaction of 8-bromo-D-2′-de­oxy­adenosine and 4-methyl­phenyl­boronic acid in the presence of Pd(OAc)₂ and a salton-derived ligand as a highly catalytically active system. There are two independent mol­ecules plus one solvent water in the asymmetric unit and the packing in the crystal lattice is heavily influenced by hydrogen bonding

Crystal structure of a Zn complex with tereph­thalate and 1,6-bis­(1,2,4-triazol-1-yl)hexa­ne

A new Zn coordination polymer with bitopic rigid terephthalate and flexible 1,6-bis­(1,2,4-triazol-1-yl)hexane was synthesized and structurally characterized.

Crystal structure of 3-benzyl-2-[(E)-2-(furan-2-yl)ethen­yl]-2,3-di­hydro­quinazolin-4(1H)-one and 3-benzyl-2-[(E)-2-(thio­phen-2-yl)ethen­yl]-2,3-di­hydro­quinazolin-4(1H)-one from synchrotron X-ray diffraction

The mol­ecular and crystal structures of two 3-benzyl-2-[(E)-2-(2-ar­yl)ethen­yl]-2,3-di­hydro­quinazolin-4-ones – products of three-component reactions between benzyl­amine, isatoic anhydride and furyl- or thienyl-acrolein in the presence of catalytic qu­antity of p-TsOH – were studied by X-ray diffraction.

Crystal structures of bis­[4-(di­methyl­amino)­pyridinium] tetra­kis­(thio­cyanato-κN)manganate(II) and tris­[4-(di­methyl­amino)­pyridinium] penta­kis(thio­cyanato-κN)manganate(II)

The crystal structures of the title salts consist of discrete anionic complexes, in which the Mn^II atom is either in a distorted tetra­hedral or a trigonal–bipyramidal coordination environment by terminal N-bonding thio­cyanate ligands. The complex anions are charge-balanced by two or three 4-(di­methyl­amino)­pyridinium cations.

3-{(E)-[4-(4-Hy­droxy-3-meth­oxy­phen­yl)butan-2-yl­idene]amino}-1-phenyl­urea: crystal structure and Hirshfeld surface analysis

The disubstituted urea mol­ecule has a twisted conformation for each of the two mol­ecules comprising the asymmetric unit. Intra­molecular amine-N—H⋯N(imine) and hy­droxy-O—H⋯O(meth­oxy) hydrogen bonds are noted. In the mol­ecular packing, amide-N—H⋯O(amide), hydroxyl-O—H⋯N(imine) and phenyl­amine-N—H⋯O(meth­oxy) hydrogen bonding leads to layers in the ac plane.

Assembly of Zn^II and Cd^II coordination polymers with different dimensionalities based on the semi-flexible 3-(1H-benzimidazol-2-yl)propanoic acid ligand

Two unprecedented two-dimensional and one-dimensional Zn^II and Cd^II complexes based on a semi-flexible ligand have been structurally identified.

Crystal structure of the η⁴-ketimine titanium complex (di­phenyl­amido-κN){3-methyl-6-[(4-methyl­phen­yl)(phenyl­aza­nid­yl)methyl­idene]cyclo­hexa-2,4-dien-1-yl-κ²N,C¹}(η⁵-penta­methyl­cyclo­penta­dien­yl)titanium(IV)

The mol­ecular structure of the titanium(IV) half-sandwich title complex comprises one penta­methyl­cyclo­penta­dienyl ligand, one di­phenyl­amido ligand and one η⁴-bound ketimine ligand, leading to a three-legged piano-stool geometry.

Bis{μ-2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ⁴O,N,N′,O′}dicopper(II)

The crystal structure of a novel binuclear copper(II) complex with a dianionic Schiff base derived from 5-bromo­salicylic aldehyde and cyste­amine prepared by direct synthesis is reported.

Crystal structure of 2,3-dimeth­oxy-N-(4-nitro­phen­yl)benzamide

In the crystal, inter­molecular weak C—H⋯O hydrogen bonds link the mol­ecules into the supra­molecular chains propagating along the a axis.

Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN)bis­(4-sulfamoylbenzoato-κO¹)copper(II)

The Cu^II cation, located on a twofold rotation axis, is coordinated by two 4-sulfamoylbenzoate anions, two nicotinamide (NA) mol­ecules and one water mol­ecule in a slightly distorted square-pyramidal geometry.

Crystal structure of (S)-5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phen­yl]oxazolidin-5-yl}meth­yl)thio­phene-2-carboxamide

The asymmetric unit of the crystal of the title compound contains two rivaroxaban mol­ecules with different conformations.

Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate

The whole mol­ecule of the title porphyrin, which crystallized as a nitro­benzene disolvate, is generated by inversion symmetry. In the crystal, the porphyrin mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along [100]. The solvent mol­ecules are also linked by C—H⋯O hydrogen bonds, forming chains along [100]. Inter­digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol­ecules are located.

Crystal structure of (E)-2-(furan-2-yl­methyl­idene)-2,3,4,9-tetra­hydro-1H-carbazol-1-one

The title compound crystallized with two conformationally very similar independent mol­ecules (A and B) in the asymmetric unit. In the crystal, the individual mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers, with (10) rings.

Crystal structure of 6,7-de­hydro­royleanone isolated from Taxodium distichum (L.) Rich.

The crystal structure features two O—H⋯O hydrogen bonds, forming chains along the [010] direction.

Crystal structure of ethyl 2-cyano-2-(1,3-di­thian-2-yl­idene)acetate

In the title compound, ethyl 2-cyano-2-(1,3-di­thian-2-yl­idene)acetate, the six-membered 1,3-di­thiane ring has a twist-boat conformation. In the crystal, the mol­ecule stack in layers up the a axis; there are no significant inter­molecular inter­actions present.

Acetonyltri­phenyl­phospho­nium 2,3,5-tri­phenyl­tetra­zolium tetra­chlorido­cuprate(II)

The product of the reaction of CuCl₂·2H₂O with both one equivalent of acetonyl tri­phenyl­phospho­nium chloride and one equivalent of 2,3,5-tri­phenyl­tetra­zolium chloride is described. The dianion, [CuCl₄]²⁻, adopts a distorted tetra­hedral geometry.

Crystal structure and hydrogen bonding in N-(1-de­oxy-β-D-fructo­pyranos-1-yl)-2-amino­isobutyric acid

The asymmetric unit contains two conformationally unequal zwitterion mol­ecules that differ in the intra­molecular hydrogen-bonding patterns. The ²C₅ β-fructo­pyran­ose conformation also dominates in the compound's solution.

Crystal structures and Hirshfeld surfaces of two 1,3-benzoxa­thiol-2-one derivatives

The packing motifs in the title compounds both feature C—H⋯O inter­actions but they show distinctly different Hirshfeld surface fingerprints.

Crystal structure of 4′-allyl-4,5,6,7,2′,7′-hexa­chloro­fluorescein allyl ester unknown solvate

In the crystal, tetra­meric supra­molecular aggregates linked by O—H⋯O hydrogen bonds occur; these further inter­act with neighboring aggregates through C—Cl⋯π inter­actions arising from the benzene rings, forming infinite two-dimensional sheets. Each C₆Cl₄ ring shifts in the direction perpendicular to the two-dimensional sheet, exhibiting a helical chain in which every C₆Cl₄ ring is utilized as both a donor and an acceptor of Cl⋯π contacts. Thus, these two-dimensional sheets pack in a helical fashion, constructing a three-dimensional network.