Acta Crystallographica Section E: Crystallographic Communications最新文献

This work focused on characterizing the structure from a stereochemical point of view, discussing the Pb^II character. The XRD data were collected at 200 K.

The title compound, poly[bis­(β-alaninium) [[di­bromido­plumbate]-di-μ-di­bromido]] {(C₂H₈NO₂)₂[PbBr₄]}_n or (β-AlaH)₂PbBr₄, crystallizes in the monoclinic space group P2₁/n. The (PbBr₄)²⁻ anion is located on a general position and has a two-dimensional polymeric structure. The Pb center is holodirected. The supra­molecular network is mainly based on O—H⋯Br, N—H⋯Br and N—H⋯O hydrogen bonds.

The synthesis and crystal structure of a new dinuclear copper(II) complex based on ethyl 2,2′-(1H-1,2,4-triazole-3,5-di­yl)-di­acetate is reported. Additionally, the results of a Hirshfeld surface analysis of [Cu₂(C₆H₅N₃O₄)₂(H₂O)₄]·2H₂O are described.

The title compound, bis­[μ-2,2′-(4H-1,2,4-triazole-3,5-di­yl)di­acetato]­bis­[di­aqua­copper(II)] dihydrate, [Cu₂(C₆H₅N₃O₄)₂(H₂O)₄]·2H₂O, is a dinuclear octa­hedral Cu^II triazole-based complex. The central copper atoms are hexa-coordinated by two nitro­gen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxyl­ate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water mol­ecules. Two additional solvent water mol­ecules are linked to the title mol­ecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supra­molecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) inter­actions. The crystal studied was twinned by a twofold rotation around [100].

The crystal structure of propane-1,3-diaminium squarate dihydrate (space group P4bm, Z = 2) features a triperiodic N—H⋯O and O—H⋯O hydrogen-bond network with a polar c axis.

Propane-1,3-diaminium squarate dihydrate, C₃H₁₂N₂²⁺·C₄O₄²⁻·2H₂O, results from the proton-transfer reaction of propane-1,3-di­amine with squaric acid and subsequent crystallization from aqueous medium. The title compound crystallizes in the tetra­gonal crystal system (space group P4bm) with Z = 2. The squarate dianion belongs to the point group D_{4 h} and contains a crystallographic fourfold axis. The propane-1,3-diaminium dication exhibits a C_{2 v}-symmetric all-anti conformation and resides on a special position with mm2 site symmetry. The orientation of the propane-1,3-diaminium ions makes the crystal structure polar in the c-axis direction. The solid-state supra­molecular structure features a triperiodic network of strong hydrogen bonds of the N—H⋯O and O—H⋯O types.

The synthesis and structural characterization of a dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂L)₂(μ-Cl)CuCl₃]·H₂O is reported

The present study focuses on the synthesis and structural characterization of a novel dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂L)₂(μ-Cl)CuCl₃]·H₂O [H₂L = 2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]. The complex crystallizes in the monoclinic space group P2₁/n with one mol­ecule of water, which forms inter­actions with the ligands. The first copper ion is penta-coordinated to two benzohydrazine-derived ligands via two nitro­gen and two oxygen atoms, and one bridging chloride, which is also coordinated by the second copper ion alongside three terminal chlorines in a distorted tetra­hedral geometry. The arrangement around the first copper ion exhibits a distorted geometry inter­mediate between trigonal bipyramidal and square pyramidal. In the crystal, chains are formed via inter­molecular inter­actions along the a-axis direction, with subsequent layers constructed through hydrogen-bonding inter­actions parallel to the ac plane, and through slipped π–π stacking inter­actions parallel to the ab plane, resulting in a three-dimensional network. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis. Residual electron density from disordered methanol mol­ecules in the void space could not be reasonably modelled, thus a solvent mask was applied.

The crystal structure of the compound described here features both C—H⋯O and N—H⋯O intra­molecular hydrogen bonds, as well as a myriad of inter­molecular C—H⋯O hydrogen-bonding inter­actions.

The mol­ecular structure of the tripodal carbamoyl­methyl­phosphine oxide compound diethyl {[(5-[2-(di­eth­oxy­phosphor­yl)acetamido]-3-{2-[2-(di­eth­oxy­phos­phor­yl)acetamido]­eth­yl}pent­yl)carbamo­yl]meth­yl}phospho­nate, C₂₅H₅₂N₃O₁₂P₃, features six intra­molecular hydrogen-bonding inter­actions. The phospho­nate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect trans geometry, and the geometry around each phophorus atom resembles a slightly distorted tetra­hedron.

This work presents the crystal structure of a natural diterpenoid, Staudtienic acid, isolated from the stem bark of Staudtia kamerunensis Warb (Myristicaceae). This work confirmed the results previously obtained from NOE spectroscopy.

This title compound, C₂₀H₂₆O₂, was isolated from the benzene fraction of the stem bark of Staudtia kamerunensis Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry. The compound has two fused cyclo­hexane rings attached to a benzene ring, with a carb­oxy­lic acid on C-4. This cyclo­hexene ring has a chair conformation while the other adopts a half-chair conformation. The benzene ring is substituted with a propenyl moiety. The structure is characterized by inter­molecular O—H⋯O hydrogen bonds, two C—H⋯O intra­molecular hydrogen bonds and two C—H⋯π inter­actions. The mol­ecular structure confirms previous studies carried out by spectroscopic techniques.