forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section E: Crystallographic Communications.

See also Forthcoming articles in all IUCr journals.

Accepted 1 July 2020

A solid solution of ethyl and d3-methyl 2-[(4-meth­ylpyridin-2-yl)amino]-4-(pyridin-2-yl)thia­zole-5-carboxyl­ate

The crystal structure of a solid solution of ethyl and d3-methyl 2-[(4-methyl­pyridin-2-yl)amino]-4-(pyridin-2-yl)thia­zole-5-carboxyl­ate is reported.

Accepted 30 June 2020

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hy­droxy-5-methyl­benzyl­idene)amino]­benzo­nitrile

The title compound crystallizes in the ortho­rhom­bic space group Pbca. The phenol ring is inclined to the benzo­nitrile ring by 25.65 (3)°. The configuration about the C=N bond is E, stabilized by a strong intra­molecular O—H⋯N hydrogen bond that forms an S(6) ring motif.

Accepted 30 June 2020

Crystal structure analysis of ethyl 6-(4-meth­oxy­phen­yl)-1-methyl-4-methyl­sulfanyl-3-phenyl-1H-pyrazolo­[3,4-b]pyridine-5-carboxyl­ate

In the title compound, the dihedral angle between the fused pyrazole and pyridine rings is 1.76 (7)°. The benzene and meth­oxy phenyl rings make dihedral angles of 44.8 (5) and 63.86 (5)°, respectively, with the pyrazolo­[3,4-b] pyridine moiety. An intra­molecular short S⋯O contact [3.215 (2) Å] is observed. The crystal packing features C—H⋯π inter­actions.

Accepted 30 June 2020

Crystal structures of two heterotrimetallic dysprosium–manganese–sodium 12-metallacrown-4 complexes with the bridging ligands 3-hy­droxy­benzoate and 4-hy­droxy­benzoate

The metallacrown complexes DyIIINa(3-OHben)4[12-MCMn(III)N(shi)-4](H2O)4·10DMA, 1, and DyIIINa(4-OHben)4[12-MCMn(III)N(shi)-4](H2O)4·4DMF, 2, where MC is metallacrown, shi3− is salicyl­hydroximate, 3-OHben is 3-hy­droxy­benzoate, DMA is N,N-di­methyl­acetamide, 4-OHben is 4-hy­droxy­benzoate, and DMF is N,N-di­methyl­formamide, consist of a macrocyclic mol­ecule with an [MnIII—N—O] repeat unit. For both 1 and 2, a DyIII ion is captured on the convex side of the central cavity, while a Na+ ion is captured on the concave side of the cavity. Four 3-hy­droxy­benzoate or 4-hy­droxy­benzoate anions bridge between the ring MnIII ions and the central DyIII ion.

Accepted 30 June 2020

Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromo­pent­yl)-2-[4-(di­methyl­amino)­phen­yl]-3-H-imidazo[4,5-b]pyridine

The 5-bromo­pentyl chain is oriented so that the bromine atom is ca 4.4 Å from one of the methyl C atoms of the di­methyl­amino group. In the crystal, two sets of inversion-related C—H⋯π(ring) inter­actions form stacks of mol­ecules extending along the a-axis direction.

Accepted 30 June 2020

One mol­ecule, three crystal structures: conformational trimorphism of N-[(1S)-1-phenyl­eth­yl]benzamide

The conformational trimorphism of a chiral amide is described, in space groups P21 and P212121, with different orientations of the supra­molecular one-dimensional structures with respect to the twofold screw axis.

Accepted 29 June 2020

The crystal structures of salts of N-(4-fluoro­phen­yl)piperazine with four aromatic carb­oxy­lic acids and with picric acid

The structures of five 4-(4-fluoro­phen­yl)piperazin-1-ium salts of closely related aromatic acids all show different patterns of supra­molecular assembly.

Accepted 27 June 2020

Crystal structure of La24Ru11

The binary hexa­gonal inter­metallic, La24Ru11, was synthesized and the structure determined as part of a study of the rare-earth-rich part of the La–Ru system.

Accepted 26 June 2020

DMT analogues: N-ethyl-N-propyl­tryptamine and N-allyl-N-methytryptamine as their hydro­fumarate salts

The structures of the hydro­fumarate salts of two N,N-di­methyl­tryptamine (DMT) derivatives, the synthetic psychedelics N-ethyl-N-propyl­tryptamine (EPT) and N-allyl-N-methyl­tryptamine (MALT), are reported.

Accepted 25 June 2020

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-di­chloro­phen­yl)-2-(2-nitro­benzyl­idene)hydrazine

In the crystal, face-to-face π-π stacking inter­actions occur along the a-axis direction between the centroids of the 2,6-di­chloro­phenyl ring and the nitro-substituted benzene ring. In addition, these mol­ecules show intra­molecular N—H⋯Cl and C—H⋯O contacts and are linked by inter­molecular N—H⋯O and C—H⋯Cl hydrogen bonds, forming pairs of hydrogen-bonded mol­ecular layers parallel to (20\overline{2}).

Accepted 25 June 2020

Azetidin-2-ones: structures of anti­mitotic compounds based on the 1-(3,4,5-tri­meth­oxy­phen­yl)azetidin-2-one core

Five azetidin-2-ones are described based on the 1-(3,4,5-tri­meth­oxy­phen­yl)azetidin-2-one core with different substituents on the lactam 3 and 4 positions: (1) 3-(4-fluoro­phen­yl)-4-(4-meth­oxy­phen­yl); (2) 3-(furan-2-yl)-4-(4-meth­oxy­phen­yl); (3) 3-(naphthalen-1-yl)-4-(4-meth­oxy­phen­yl); (4) 3-(3,4-di­meth­oxy­phen­yl)-4-(4-meth­oxy­phen­yl); (5) 4,4-bis­(4-meth­oxy­phen­yl)-3-phenyl-1-(3,4,5-tri­meth­oxy­phen­yl)azetidin-2-one.


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