Crystal structure reinvestigation of silver(I) fluoride, AgF

The rock salt-type crystal structure of AgF was re-examined from a high-resolution, low-temperature single-crystal X-ray diffraction data set.

Redetermination of the crystal structure of di-μ₂-hydroxido-bis­[di-tert-butyl­chlorido­tin(IV)] at 100 K

The crystal structure of the title compound was redetermined at 100 K in order to achieve improved structural data, especially with respect to the C—C distances and the hydrogen bonding.

[(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-iso­propyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate

The central Ir^I atom of the cationic complex of the title compound, [Ir(C₈H₁₂)(C₁₈H₁₅P)(C₆H₁₁N₃)][BF₄] ·0.8CH₂Cl₂, exhibits a distorted square-planar coordination environment.

5,8-Dihy­droxy-2,2-di­methyl-12-(3-methyl­but-2-en­yl)pyrano[3,2-b]xanthen-6-one (brasixanthone B)

The crystal structure of brasixanthone B, a naturally occurring xanthone isolated from the stem bark of Calophyllum gracilentum, is reported. The mol­ecule is characterized by a xanthone skeleton of three fused six-membered rings plus an additional fused pyrano ring and one 3-methyl­but-2-enyl side chain.

4-(All­yloxy)benzohydrazide

In the crystal of the title hydrazide, the mol­ecules are linked into (001) sheets by N—H⋯N and N—H⋯O hydrogen bonds.

(S)-2-[(S)-2,2,2-Tri­fluoro-1-hy­droxy­eth­yl]-1-tetra­lone

The title tetra­lone derivative crystallizes in the Sohncke space group P2₁ and features one mol­ecule in the asymmetric unit. In the crystal, mol­ecules are hydrogen-bonded into infinite zigzag chains running parallel to [010].

1H-Benzo[g]pteridine-2,4-dione

The structure of the title compound, reported from powder diffraction data and ¹⁵N NMR spectroscopy, is confirmed using low-temperature data from a twinned crystal. The tautomer in the solid state is alloxazine (1H-benzo[g]pteridine-2,4-dione) rather than isoalloxazine (10H-benzo[g]pteridine-2,4-dione).

3-Chloro-N,N-di­methyl­propan-1-aminium chloride

The organic cation in the title mol­ecular salt is found with a gauche arrangement for the terminal C—C—C—Cl grouping, which DFT calculations show is the stable conformation relative to anti.

Methyl 1-[(6-meth­oxy-5-methyl­pyrimidin-4-yl)meth­yl]-1H-benzo[d]imidazole-7-carboxyl­ate: a combined X-ray and DFT study

The crystal and mol­ecular structures of methyl 1-[(6-meth­oxy-5-methyl­pyrimidin-4-yl)meth­yl]-1H-benzo[d]imidazole-7-carboxyl­ate,obtained as a side product during the synthesis of the previously reported anti­tubercular agent N-(2-fluoro­eth­yl)-1-[(6-meth­oxy-5-methyl­pyrimidin-4-yl)meth­yl]-1H-benzo[d]imidazole-4-carboxamide, are reported.

2,5-Bis[5-(3,5-dido­decyl­oxyphen­yl)-1,3,4-oxa­diazol-2-yl]-3,6-di­methyl­pyrazine

The nearly planar mol­ecule is centrosymmetric with two all-s-trans chains, the other two chains have an s-cis unit starting with the oxygen atoms. The chains are inter­digitated.

3-(2-Bromo­eth­yl)-5,5-di­phenyl­imidazolidine-2,4-dione

The imidazolidine ring is slightly ruffled while the attached phenyl rings are rotated well out of its mean plane. In the crystal, N—H⋯O hydrogen bonds form inversion dimers, which are connected into layers parallel to (101) by C—H⋯O hydrogen bonds. The layers are connected into a three-dimensional network by additional C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

Aqua­tri­fluorido­boron–1,3-dioxolan-2-one (1/2)

Aqua­tri­fluorido­boron and ethyl­ene carbonate form a 1:2 co-crystal with a C=O⋯H—O—H⋯O=C hydrogen-bonding motif.

(Z)-4,5-Di­bromo-3,3,6,6-tetra­methyl-2,3,6,7-tetra­hydro­thiepine-1,1-dione

The crystal of the title compound is formed from layers built from centrosymmetric pairs of mol­ecules. The mol­ecule adopts a twist conformation with the carbons next to sulfur above or below the mean plane.

2-[(4-Chloro­phen­yl)imino]-1,2-di­phenyl­ethanone

In the title Schiff base, the dihedral angle between the phenyl rings of the benzil unit is 74.14 (5)°.