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September 2019 issue
research communications
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A cadmium germanium arsenide compound, Cd3Ge2As4, was synthesized using a double-containment fused quartz ampoule method within a rocking furnace and a melt-quench technique. The crystal structure was determined from single-crystal X-ray diffraction, scanning and transmission electron microscopies, and selected area diffraction and confirmed with electron backscatter diffraction. The chemistry was verified with electron energy loss spectroscopy.
CCDC reference: 1943551
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In the title dithioglycoluril derivative, there is a difference in the torsion angles between the thioimidazole moiety and the methoxyphenyl groups on either side of the molecule [C—N—Car—Car = 116.9 (2) and −86.1 (3)°]. The N—C—N bond angle on one side of the dithioglycoluril moiety is slightly smaller than the one on the opposite side [110.9 (2)° cf. 112.0 (2)°], probably as a result of the steric effect of the methyl group.
CCDC reference: 1906113
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The crystal structure of a new mononuclear NiII complex with bis(pyridin-2-yl)amine (dpyam) and benzoate (benz) is reported.
CCDC reference: 1945125
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The synthesis and crystal structures of 1,3-diethyl-5-{(2E,4E)-6-[(E)-1,3,3-trimethylindolin-2-ylidene]hexa-2,4-dien-1-ylidene}pyrimidine-2,4,6(1H,3H,5H)-trione or TMI, C25H29N3O3, and 1,3-diethyl-2-sulfanylidene-5-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]dihydropyrimidine-4,6(1H,5H)-dione or DTB, C21H25N3O2S, are described. These compounds contain the same indole derivative donor group and differ in their acceptor groups (in TMI it contains oxygen in the para position, and in DTB sulfur) and the length of the π-bridge.
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The title compound, 1,3-bis(4-hydroxyphenyl)-1H-imidazol-3-ium chloride (IOH·Cl) is a new imidazolium salt with a hydroxy functionality.
CCDC reference: 1946122
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The crystal structures of the fumarate salts of the psychomimetics MiPT and 4-HO-MiPT are reported. The extended structure of both compounds feature two-dimensional networks of ions connected through N—H⋯O and O—H⋯O hydrogen bonds.
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The title compound consists of a 3,6-bis(pyridin-2-yl)pyridazine unit linked to a 4-[(prop-2-en-1-yloxy)methyl] moiety. The pyridine-2-yl rings are rotated slightly out of the plane of the pyridazine ring. In the crystal, C—H⋯N hydrogen bonds and C—H⋯π interactions link the molecules, forming deeply corrugated layers approximately parallel to the bc plane and stacked along the a-axis direction.
CCDC reference: 1946685
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The title compound, bis[butyltris(1H-pyrazol-1-yl)borato]iron(II), belongs to the class of neutral scorpionate complexes. The crystal structure at low temperature and the magnetic susceptibility measurement in the high-temperature region reveal the low-spin character of the iron(II) ion.
CCDC reference: 1946393
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The title compound was synthesized from 2-(trifluoromethyl)aniline by a multi-step reaction and is constructed from a pair of aromatic rings [2-(trifluoromethyl)phenyl and tetrazole], which are turned by 76.8 (1)° relative to each other because of significant steric hindrance of the trifluoromethyl group at the ortho position of the benzene ring·In the crystal, very weak C—H⋯N and C—H⋯F hydrogen bonds and aromatic π–π stacking interactions link the molecules into a three-dimensional network.
CCDC reference: 1947200
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The title compound is the first crystal structure of the pyrrolo[1,2-c]oxazole ring system. In the crystal, weak C—H⋯O and C—H⋯F hydrogen bonds link the molecules into [001] chains and π–π stacking interactions consolidate the structure.
CCDC reference: 1919738
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The structures of two sterically hindered silicon compounds feature intermolecular C—H⋯π interactions in the solid state. The silapropan-2-ol compound also features an intermolecular O—H⋯π interaction.
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In the crystal, C—H⋯N(nitrile) short contacts and stacking interactions combine to link the anions into layers parallel to the (01) plane and separated by columns of tetramethylammonium cations.
CCDC reference: 1947007
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The structure of the title compound was determined using single crystals obtained more than 60 years ago at the Facultad de Química, Universidad de la República. The chemical structure of the compound, now confirmed by X-ray diffraction, was determined spectroscopically and was relevant in the determination of the structure of lanosterol and other triterpenoids in the early 50′s.
CCDC reference: 1946967
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In the title compound, intermolecular N—H⋯O hydrogen bonds link the molecules into a three-dimensional supramolecular network.
CCDC reference: 1947718
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The synthesis, characterization and crystal structure of the title compounds are reported and the crystal supramolecularity is discussed.
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A modified synthesis procedure allowed lapachol acetate (acetic acid 3-(3-methyl-but-2-enyl)-1,4-dioxo-1,4-dihydro- naphthalen-2-yl ester) to be obtained in high yield and its crystal structure is reported for the first time 80 years after its first synthesis. The lapachol acetate molecular conformation is very similar to that of reported lapachol molecules and other derivatives. The monoclinic P21/n crystal structure packs through weak intermolecular π–π and C—H⋯O interactions as described by Hirshfeld surface analysis.
CCDC reference: 1947085
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The crystal structure of a binuclear mixed-valence ytterbium complex containing bridging and terminal 2-anthracene-substituted phenoxide ligands is described. One of the bridging ligands shows a π-interaction between an anthracene bond and the ytterbium(II) centre.
CCDC reference: 1947717
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The title compound consists of the 5-bromoindoline-2,3-dione unit linked by a 1-{2-[2-(2 chloroethoxy)ethoxy]ethyl} moiety. In the crystal, intermolecular C—HBrmind⋯ODio, C—HBrmind⋯OEthy, C—HChlethy⋯ODio and C—HChlethy⋯OChlethy (Brmind = bromoindoline, Dio = dione, Ethy = ethoxy and Chlethy = chloroethoxy) hydrogen bonds link the molecules into a three-dimensional structure, enclosing (8), (12), (18) and (22) ring motifs. The π–π contacts between the five-membered dione rings may further stabilize the structure.
CCDC reference: 1948316
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The title compound consists of a 2-hydroxy-4-methylphenyl ring, a 2,4,6-trimethoxyphenyl ring and a prop-2-en-1-one connecting bridge. The overall conformations of the title compound are discussed and compared with those of related structures. In the crystal, molecules are consolidated by O—H⋯O hydrogen bonds and weak C—H⋯O interactions.
CCDC reference: 1946810
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The cyclopent-3-ene ring has an envelope conformation with the tertiary C atom as the flap atom.
CCDC reference: 1899475
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The crystal structure of Zn(NH3)2Cl2 was redetermined at low temperature, revealing the positions of the hydrogen atoms.
CCDC reference: 1949371
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In the crystalline state, salicylaldehyde N(4)-morpholinothiosemicarbazone forms sheets parallel to (002) and consisting of two parallel chains running in the a-axis direction and formed by N—H⋯O and C—H⋯O hydrogen bonds.
CCDC reference: 1949697
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The distorted title square-planar silver(I) complex was obtained in very good yield after gentle mixing of solutions of the N,N-diethylphenylazothioformamide (ATF) ligand with silver hexafluoridophosphate in tetrahydrofuran. In the crystal, one sulfur atom from an ATF ligand of a neighboring complex coordinates to the silver atom, with a bond distance of 2.9884 (14) Å. This creates a polymeric zigzag chain propagating along the c-axis direction.
CCDC reference: 1949718