Strukturen zweier Salze des Bis(thioharnstoff)gold(I)-Kations

2018 ◽  
Vol 73 (5) ◽  
pp. 349-354
Author(s):  
Mark Strey ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
Double Layers ◽  
Mirror Plane ◽  
Bonding System ◽  
Hydrogen Bonding System ◽  
Ionic Nature ◽  
Graph Set

AbstractAttempts to isolate the compound (tu2Au)SCN 1 (tu=thiourea), first reported in 1949, at first led to [(tu)2Au]2SO4·CH3OH 2 after crystallization from methanol-petroleum ether. Crystallization from isopropanol led to the required compound 1. The crystal structure analysis of 1 confirmed its ionic nature, (tu2Au)+ SCN−. The tu ligands are mutually trans (torsion angle C–S···S–C 175.4(2)°), and the entire cation is approximately planar (r.m.s. deviation 0.08 Å). Eight classical hydrogen bonds connect the residues to form layers parallel to the bc plane at x≈⅛, ⅜, ⅝ and ⅞; the layers are connected by aurophilic contacts, which link the cations to form chains parallel to the a axis. In the structure of compound 2 the S=C groups are synclinal to each other; two NH2 groups are connected via a bifurcated hydrogen bonding system to a sulfate oxygen, forming a ring of graph set ${\rm{R}}_2^1(10).$ In a complex three-dimensional packing, the cations are connected by various interactions to form layers parallel to the ac plane at y≈½, whereas the sulfates are the centres of hydrogen-bonded double layers on both sides of the mirror plane at y≈¾. The structure contains a convincing example of a hydrogen bond to a gold centre.

Ethylenediammonium thiophene-2,5-dicarboxylate dihydrate, an acid–base complex with a three-dimensional hydrogen-bonding system

2006 ◽  
Vol 62 (7) ◽  
pp. o2951-o2952 ◽  
Author(s):  
Si-Min Wu ◽  
Ming Li ◽  
Jiang-Feng Xiang ◽  
Liang-Jie Yuan ◽  
Ju-Tang Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Acid Base ◽  
Special Position ◽  
Compound C ◽  
Bonding System ◽  
Hydrogen Bonding System

The crystal structure of the title compound, C2H10N2 2+·C6H2O4S2−·2H2O, is built of ethylenediammonium dications, occupying a special position on an inversion center, thiophene-2,5-dicarboxylate dianions, in a special position on the twofold axis, and water molecules in general positions. All residues are involved in an extensive hydrogen-bonding system, which links them into a three-dimensional supramolecular arrangement.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ido)magnesium

2015 ◽  
Vol 71 (3) ◽  
pp. 321-323 ◽  
Author(s):  
Yabin Shi ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Title Complex ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Graph Set

The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the MgIIatom is coordinated in a slightly distorted octahedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intramolecular O—H...O hydrogen bond forms anS(7) graph-set motif. In the crystal, O—H...O and O—H...N hydrogen bonds link complex molecules forming a three-dimensional network incorporatingR42(8) andR22(18) graph-set motifs.

scholarly journals The effect of hydrogen bonding on the conformations of 2-(1H-indol-3-yl)-2-oxoacetamide and 2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

2012 ◽  
Vol 68 (10) ◽  
pp. o405-o407 ◽  
Author(s):  
Vijayakumar N. Sonar ◽  
Sean Parkin ◽  
Peter A. Crooks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carbonyl Groups ◽  
Single Bond ◽  
Torsion Angles ◽  
Bonding System ◽  
Dimensional Network ◽  
Hydrogen Bonding System

In the title compounds, C10H8N2O2, (I), and C12H12N2O2, (II), the two carbonyl groups are oriented with torsion angles of −149.3 (3) and −88.55 (15)°, respectively. The single-bond distances linking the two carbonyl groups are 1.528 (4) and 1.5298 (17) Å, respectively. In (I), the molecules are linked by an elaborate system of N—H...O hydrogen bonds, which form adjacentR22(8) andR42(8) ring motifs to generate a ladder-like construct. Adjacent ladders are further linked by N—H...O hydrogen bonds to build a three-dimensional network. The hydrogen bonding in (II) is far simpler, consisting of helical chains of N—H...O-linked molecules that follow the 21screw of thebaxis. It is the presence of an elaborate hydrogen-bonding system in the crystal structure of (I) that leads to the different torsion angle for the orientation of the two adjacent carbonyl groups from that in (II).

scholarly journals Crystal structure of non-centrosymmetric bis(4-methoxybenzylammonium) tetrachloridozincate

2016 ◽  
Vol 72 (7) ◽  
pp. 1050-1053 ◽  
Author(s):  
Najla Mahbouli Rhouma ◽  
Ali Rayes ◽  
Francesco Mezzadri ◽  
Gianluca Calestani ◽  
Mohamed Loukil
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Double Layers ◽  
Component Ratio ◽  
Inorganic Hybrid ◽  
Coulombic Interactions ◽  
Bonding System ◽  
Hydrogen Bonding System ◽  
Positively Charged

The structure of the title non-centrosymmetric organic–inorganic hybrid salt, (C8H12NO)2[ZnCl4], consists of two 4-methoxybenzylammonium cations sandwiched between anionic layers, formed by isolated tetrachloridozincate tetrahedra. The double layers extend parallel to theacplane. The crystal packing is assured by Coulombic interactions and by a complex N—H...Cl and C—H...Cl hydrogen-bonding system mostly involving the positively charged ammonium groups and the chloride ligands of the isolated tetrahedral [ZnCl4]2−units. One of the methyleneammonium groups is disordered over two sets of sites in a 0.48 (2):0.52 (2) ratio. The crystal investigated was twinned by non-merohedry with a twin component ratio of 0.738 (2):0.262 (2).

scholarly journals Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

2019 ◽  
Vol 75 (3) ◽  
pp. 414-422
Author(s):  
Hee-Soo So ◽  
Shinya Matsumoto
Keyword(s):  
Crystal Structure ◽  
Crystal Structure Analysis ◽  
The Other ◽  
Stable Form ◽  
Bonding System ◽  
Hydrogen Bonding System ◽  
Crystallization Conditions ◽  
Polymorphic Forms ◽  
The Difference ◽  
Packing Effect

In this paper, the conformational polymorphism of a chlorinated diketopyrrolopyrrole (DPP) dye having flexible substituents in a non-hydrogen-bonding system is reported. The propyl-substituted DPP derivative (PR3C) has three polymorphic forms, each showing a different colour (red, orange and yellow). All polymorphs could be obtained concomitantly under various crystallization conditions. The results of the crystal structure analysis indicate that PR3C adopts different conformations in each polymorph. The packing effect caused by the difference in the arrangement of neighbouring molecules was found to play an important role in the occurrence of the observed polymorphism. The thermodynamic stability relationship between the three polymorphs was identified by thermal analysis and indicates that the yellow polymorph is the thermally stable form. The results indicate that the yellow form and orange form are enantiotropically related, and the other polymorph is monotropically related to the others.

scholarly journals Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate

2016 ◽  
Vol 72 (2) ◽  
pp. 257-260
Author(s):  
Nóra Veronika May ◽  
Gyula Tamás Gál ◽  
Zsolt Rapi ◽  
Péter Bakó
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Side Chain ◽  
Compound C ◽  
Side Chain Conformation ◽  
Graph Set ◽  
Aromatic Ring Interactions

In the racemic title compound, C24H25NO9, the dihedral angle between the planes of the two benzene-ring systems is 80.16 (6)°, while the side-chain conformation is stabilized by a methylene–carboxyl C—H...O hydrogen bond. Weak intermolecular C—H...O hydrogen bonds form inversion dimers [graph setR22(16)] which are linked into chains extending alonga. Further C—H...O hydrogen bonding extends the structure alongbthrough cyclicR22(10) motifs. Although no π–π aromatic ring interactions are present in the structure, C—H...π ring interactions acrosscgenerate an overall three-dimensional supramolecular structure.

scholarly journals Crystal structure offac-aquatricarbonyl[(S)-valinato-κ2N,O]rhenium(I)

2016 ◽  
Vol 72 (4) ◽  
pp. 590-592
Author(s):  
Kseniia O. Piletska ◽  
Kostiantyn V. Domasevitch ◽  
Alexander V. Shtemenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Carbonyl Ligands ◽  
Distorted Octahedral Coordination ◽  
Bonding System ◽  
Distorted Octahedral ◽  
Hydrogen Bonding System

In the molecule of the title compound, [Re(C5H10NO2)(CO)3(H2O)], the ReIatom adopts a distorted octahedral coordination sphere defined by one aqua and three carbonyl ligands as well as one amino N and one carboxylate O atom of the chelating valinate anion. The carbonyl ligands are arranged in afac-configuration around the ReIion. In the crystal, an intricate hydrogen-bonding system under participation of two O—H, two N—H and one C—H donor groups and the carboxylate and carbonyl O atoms as acceptor groups contribute to the formation of a three-dimensional supramolecular network.

Hexamethylenediammonium bis(saccharinate): supramolecular assembly via hydrogen bonds

2006 ◽  
Vol 62 (4) ◽  
pp. o1314-o1316
Author(s):  
Zi-Liang Wang ◽  
Lin-Heng Wei ◽  
Ming-Xue Li ◽  
Jing-Yang Niu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Assembly ◽  
Special Position ◽  
Bonding System ◽  
Hydrogen Bonding System ◽  
Anions And Cations

The crystal structure of the title salt, C6H18N2 2+·2C7H4NO3S−, contains two crystallographically independent hexamethylenediammonium dications and two independent saccharinate anions; each of the dications occupies a special position on an inversion centre. The extensive hydrogen-bonding system, involving all six `active' H atoms, links the anions and cations into an infinite three-dimensional supramolecular assembly.

scholarly journals Crystal structure of dicesium hydrogen citrate from laboratory single-crystal and powder X-ray diffraction data and DFT comparison

2017 ◽  
Vol 73 (2) ◽  
pp. 231-234 ◽  
Author(s):  
Alagappa Rammohan ◽  
Amy A. Sarjeant ◽  
James A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystal ◽  
Diffraction Data ◽  
Density Functional ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Methylene Groups

The crystal structure of dicesium hydrogen citrate, 2Cs+·C6H6O72−, has been solved using laboratory X-ray single-crystal diffraction data, refined using laboratory powder X-ray data, and optimized using density functional techniques. The Cs+cation is nine-coordinate, with a bond-valence sum of 0.92 valence units. The CsO9coordination polyhedra share edges and corners to form a three-dimensional framework. The citrate anion is located on a mirror plane. Its central hydroxy/carboxylate O—H...O hydrogen bond is short, and (unusually) intermolecular. The centrosymmetric end-end carboxylate hydrogen bond is exceptionally short (O...O = 2.416 Å) and strong. These hydrogen bonds contribute 16.5 and 21.7 kcal mol−1, respectively, to the crystal energy. The hydrophobic methylene groups occupy pockets in the framework.

The crystal structure of anthranilic acid

1968 ◽  
Vol 302 (1469) ◽  
pp. 185-199 ◽  
Keyword(s):  
Crystal Structure ◽  
Anthranilic Acid ◽  
Room Temperature ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bonding System ◽  
Hydrogen Bonding System ◽  
Acid Stable ◽  
Atomic Coordinates

The crystal structure of the form of anthranilic acid stable at room temperature has been determined from three-dimensional X -ray diffraction data. 1416 structure amplitudes were used in refining the positional and anisotropic thermal parameters, resulting in a discrepancy index R = 7.0% , and e. s. d. of 0.0045 Å in the atomic coordinates. There are two non-equivalent molecules per lattice point in the space group P 2 1 cn , and the analysis shows these two molecules to have considerably different bond lengths. This evidence, taken together with the hydrogen-bonding system, indicates that one molecule is neutral, while the other is a zwitterion.

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