scholarly journals Synthesis and Characterization of Tetrakis(4-oxo-piperidinium ethylene acetal) Bis Sulfate Hexahydrate

2011 ◽  
Vol 8 (4) ◽  
pp. 1930-1936 ◽  
Author(s):  
H. Marouani ◽  
M. Rzaigui ◽  
S. S. Al-Deyab
Keyword(s):  
Hydrogen Bonds ◽  
Electrostatic Interactions ◽  
Three Dimensional ◽  
Spectroscopic Studies ◽  
Dimensional Network ◽  
Ir Spectroscopic ◽  
Inorganic Layers ◽  
Van Der Waals Contacts ◽  
Ethylene Acetal

Chemical preparation, x-ray characterization, IR spectroscopy and thermal analysis of a new sulfate (C7H12O2NH2)4(SO4)2.6H2O, are reported. The atomic arrangement can be described by layers formed by sulfate anions (SO-24) and water molecules connected by hydrogen bonds O-H…O. These inorganic layers are developed around ab planes at z = 0 and z = 1/2 and are interconnected by theH-bonds created by organic groups. All the hydrogen bonds, the Van der waals contacts and electrostatic interactions between the different entities give rise to a three-dimensional network in the structure and add stability to this compound. The thermal behaviour and the IR spectroscopic studies of this new sulfate are discussed.

scholarly journals Synthesis and Characterization of [2-CH3CH2C6H4NH3]6P6O18⋅4H2O

2011 ◽  
Vol 2011 ◽  
pp. 1-6 ◽  
Author(s):  
Houda Marouani ◽  
Salem Slayyem Al-Deyab ◽  
Mohamed Rzaigui
Keyword(s):  
Hydrogen Bonds ◽  
Electrostatic Interactions ◽  
Three Dimensional ◽  
Spectroscopic Studies ◽  
Monoclinic System ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Ir Spectroscopic

Single crystals of [2-CH3CH2C6H4NH3]6P6O18⋅4H2O are synthesized in aqueous solution by the interaction of cyclohexaphosphoric acid and 2-ethylaniline. This compound crystallizes in the monoclinic system with P21/c space group the unit cell dimensions are: a=16.220(4) Å, b=10.220(5) Å, c=20.328(4) Å, β=113.24(3)∘, Z=2, and V=3096.5(18) Å3. The atomic arrangement can be described by layers formed by cyclohexaphosphate anions P6O186− and water molecules connected by hydrogen bonds O–H⋯O. These inorganic layers are developed around bc planes at x=1/2 and are interconnected by the H-bonds created by ammonium groups of organic cations. All the hydrogen bonds, the van der Waals contacts and electrostatic interactions between the different entities give rise to a three-dimensional network in the structure and add stability to this compound. The thermal behaviour and the IR spectroscopic studies of this new cyclohexaphosphate are discussed.

Ethylenediammonium tetraaquabis(sulfato)cobaltate(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2643-m2644
Author(s):  
Patricia Leyva-Bailen ◽  
Anthony V. Powell ◽  
Paz Vaqueiro
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Electrostatic Interactions ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Constituent Species ◽  
Dimensional Network

In the title compound, [NH3(CH2)2NH3][Co(SO4)2(H2O)4], both the cation and anion are centrosymmetric. The CoII ion adopts a slightly distorted CoO6 octahedral geometry, arising from four water molecules and two monodentate SO4 2− anions. In addition to electrostatic interactions, the constituent species are linked through N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Synthesis, crystal structure and spectroscopic characterization of a new organic bismuthate (III) [C9H28N4][Bi2Cl10].H2O

2014 ◽  
Vol 9 (2) ◽  
pp. 1911-1920 ◽  
Author(s):  
Z. Aloui ◽  
S. Abid ◽  
E. Jeanneau ◽  
M. Rzaigui ◽  
C. Ben Nasr
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Spectroscopic Characterization ◽  
Organic Layer ◽  
Monoclinic System ◽  
Cell Parameters ◽  
Dimensional Network ◽  
Ft Ir

The chemical preparation, crystal structure and spectroscopic characterization of [C9H28N4][Bi2Cl10].H2O have been reported. This compound crystallizes in the monoclinic system in space group P21/c and cell parameters a = 12.2385 (6), b = 17.3062 (7), c = 13.0772 (6) Å, β = 104.475 (5)°, Z = 4 and V = 2681.9 (2) Å3. Its crystal structure has been determined and refined to R = 0.049, using 5848 independent reflections. The atomic arrangement can be described by an alternation of organic and inorganic layers. The inorganic layer built up of [Bi2Cl10]4– bioctahedra arranged in sandwich between the organic layer. The organic groups are interconnected by the water molecules through N-H…O(W) hydrogen bonds to form infinite zig-zag chains spreading along the b-axis. These Chains are themselves interconnected by means of the N–H…Cl hydrogen bonds originating from [Bi2Cl10]4– anions, to form a three-dimensional network. Intermolecular Cl…Cl interactions between adjacent dimeric [Bi2Cl10]4– anions have been observed. The compound was also characterized by FT-IR and Raman spectrscopies.

Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study

2015 ◽  
Vol 71 (1) ◽  
pp. 68-73 ◽  
Author(s):  
Gennaro Ventruti ◽  
Fernando Scordari ◽  
Fabio Bellatreccia ◽  
Giancarlo Della Ventura ◽  
Armida Sodo
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Fourier Synthesis ◽  
Dimensional Network ◽  
Calcium Tartrate ◽  
Network Of Hydrogen Bonds ◽  
Ft Ir ◽  
Difference Fourier ◽  
Ir Spectroscopic

The crystal structure of calcium tartrate esahydrate, CaC4H4O6·6H2O, has been solved by the charge-flipping method from single-crystal X-ray diffraction data and refined toR= 0.021, based on 1700 unique observed diffractions. Salient crystallographic data are:a= 7.7390 (1),b= 12.8030 (2),c= 5.8290 (1) Å,Z= 2, and space groupP21212. During the refinement step it was possible to locate all H atoms by difference Fourier synthesis. The tartrate molecule has a (−)-gaucheconformation and is coordinated to two calcium ions to form infinite chains along theaaxis which alternate Ca polyhedra with tartrate molecules. The chains are interlinked by a three-dimensional network of hydrogen bonds from four water molecules surrounding the Ca ion, reinforced by hydrogen bonds from one interstitial water molecule. Micro-Raman and FT–IR spectroscopic data are provided.

Formation and Structural Characterization of [RuCl2(CO)2(SPh2)2], [RuCl2(CO)3(OH2)], and [Ru(OH2)6][RuCl3(CO)3]2 · 2H2O

2003 ◽  
Vol 58 (10) ◽  
pp. 959-964 ◽  
Author(s):  
Marjaana Taimisto ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen ◽  
Markku Ahlgrén
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Three Dimensional ◽  
Temperature Reaction ◽  
X Ray ◽  
X Ray Crystallography ◽  
Dimensional Network ◽  
Moderate Yield

While the room temperature reaction of [RuCl2(CO)3]2 and Ph2S in tetrahydrofuran in air affords [RuCl2(CO)2(SPh2)2] (1) in moderate yield, that in dichloromethane results in the formation of a mixture of [RuCl2(CO)3(H2O)] (2) and [Ru(H2O)6][RuCl3(CO)3]2·2H2O (3). Very small amounts of 1 are produced only upon prolonged reflux of the reagents. All compounds were characterized by X-ray crystallography. 1 crystallizes as discrete octahedral cis(CO), cis(Cl), trans(Ph2S) complexes, which are joined into stacks by weak H···Cl hydrogen bonds. 2 is also composed of discrete octahedral complexes. Four hydrogen bonds involving aqua and chlorido ligands link two complexes into a dimer. The structure of 3 consists of octahedral hexaaquaruthenium cations and two tricarbonyltrichloridoruthenate anions. The water of crystallization is involved in hydrogen bonding between the cations and anions resulting in the formation of a continuous three-dimensional network.

Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model

2013 ◽  
Vol 69 (9) ◽  
pp. 1077-1080 ◽  
Author(s):  
Montha Meepripruk ◽  
Kenneth J. Haller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Gramicidin A ◽  
Strong Hydrogen Bond ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Dimensional Network

The crystal structure of a dihydrate of the title compound, 3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazolo[1,2-a]-purin-9(5H)-one, C11H13N5O3·2H2O, has been reinvestigated. The asymmetric unit contains two molecules of tricyclic acyclovir and four molecules of water. The structure consists of a three-dimensional network of strong hydrogen bonds that integrates all of the components. While the crystal structure and the formation of an (H2O)8solvent water molecule cluster through a disordered strong hydrogen bond [O...O = 2.807 (3) Å] between two water molecules across an inversion centre has been described previously [Suwińska, Golankiewicz & Zielenkiewicz (2001).Acta Cryst.C57, 767–769], the disorder was incompletely modelled. In this work, the disorder model is extended and includes disorder of one tricyclic acyclovir hydroxy group across another inversion centre [O...O = 2.644 (4) Å]. The resulting infinite O—H...O hydrogen-bonded water–hydroxy chains, analogous to the `proton wires' found in the membrane protein gramicidin A, are discussed and an unusual disorder model involving infinite concerted chains of O—H...O hydrogen bonds is provided.

scholarly journals Preparation and Characterization of bis (4-methoxyanilinium) tetrachlorozincate

2014 ◽  
Vol 10 (3) ◽  
pp. 2355-2362
Author(s):  
H. Rahmouni ◽  
W. Smirani Sta ◽  
M. Rzaigui
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Van Der Waals Interactions ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Organic Layers ◽  
Dimensional Network ◽  
Uv Visible

A new zinc complex of formula [C7H10NO]2 ZnCl4 has been prepared and characterized by X-ray diffraction,  IR and UV-Visible spectroscopies. The complex crystallizes in the monoclinic space group P21/n with a minimal tetrahedral distortion of the ZnCl42- ion and with lattice parameters: a =12.054 (2) Å, b =7.129 (3) Å, c =23.480 (2) Å, β = 100.67 (2)°, V = 1983.03 (1) Å3 and Z = 4. The crystal structure was solved and refined to R = 0.080 and RW = 0.227 with 9611 independent reflections. It can be described by organic layers of p-anisidinium cations held together by C-H…O hydrogen bonds parallel to (010) plane, linked to the inorganic groups of ZnCl42- anions through N-H…Cl hydrogen bonds, electrostatic and Van Der Waals interactions, to form a three-dimensional network.

scholarly journals Synthesis and crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloridodiiodidocadmate/chloridotriiodidocadmate (0.90/0.10)

2016 ◽  
Vol 72 (10) ◽  
pp. 1404-1407
Author(s):  
Najla Mahbouli Rhouma ◽  
Ali Rayes ◽  
Francesco Mezzadri ◽  
Gianluca Calestani ◽  
Mohamed Loukil
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Electrostatic Interactions ◽  
Three Dimensional ◽  
Organic Cations ◽  
Synthesis And Crystal Structure ◽  
Inorganic Hybrid ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, (C6H16N2O)[CdCl1.90I2.10], a new organic–inorganic hybrid salt synthesized in the form of single crystals, consists of discrete statistically distributed dichloridodiiodidocadmate/chloridotriiodidocadmate anions (occupancy ratio 0.90:0.10) and 4-(2-ammonioethyl)morpholin-4-ium cations, [NH3(CH2)2NH(CH2)4O]2+. The cations are linked by intermolecular N—H...O hydrogen bonds, forming corrugated chains extending parallel to thecaxis. The [CdCl1.90I2.10]2−tetrahalidocadmate anions lie between the chains to maximize the electrostatic interactions and are connected with the organic cationsviaN—H...Cl and C—H...Cl(I) hydrogen bonds developing in theabplane and leading to the formation of a three-dimensional network structure. The tetracoordinate CdIIatom has a distorted tetrahedral conformation, with a τ4index of 0.87.

Crystal structure of tofacitinib dihydrogen citrate (Xeljanz®), (C16H21N6O)(H2C6H5O7)

2021 ◽  
pp. 1-8
Author(s):  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Density Functional ◽  
Acid Group ◽  
Dimensional Network ◽  
Van Der Waals Contacts ◽  
Citrate Anion

The crystal structure of tofacitinib dihydrogen citrate (tofacitinib citrate) has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tofacitinib dihydrogen citrate crystallizes in space group P212121 (#19) with a = 5.91113(1), b = 12.93131(3), c = 30.43499(7) Å, V = 2326.411(6) Å3, and Z = 4. The crystal structure consists of corrugated layers perpendicular to the c-axis. Within the layers, cation⋯anion and anion⋯anion hydrogen bonds link the fragments into a two-dimensional network parallel to the ab-plane. Between the layers, there are only van der Waals contacts. A terminal carboxylic acid group in the citrate anion forms a strong charge-assisted hydrogen bond to the ionized central carboxylate group. The other carboxylic acid acts as a donor to the carbonyl group of the cation. The citrate hydroxy group forms an intramolecular charge-assisted hydrogen bond to the ionized central carboxylate. Two protonated nitrogen atoms in the cation act as donors to the ionized central carboxylate of the anion. These hydrogen bonds form a ring with the graph set symbol R2,2(8). The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

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