scholarly journals Synthesis, Crystal structure of hepta (pyridinium) bis (hexachlorobismuthate (III)) nitrate [C5H6N]7(BiCl6)2(NO3)

2013 ◽  
Vol 9 (2) ◽  
pp. 1975-1987
Author(s):  
Ben Tahar Fayçal ◽  
Perez Olivier ◽  
Slaheddine Chaabouni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Three Dimensional ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Cell Parameters ◽  
Dimensional Network

An hepta (pyridinium) bis (hexachlorobismuthate (III)) nitrate, (C5H6N)7(BiCl6)2(NO3) crystallizes at room temperature in the monoclinic system, space group P21/n, with the following unit-cell parameters: a = 9.555(1) Å, b = 16.847(1) Å, c = 32.522(1) Å, β = 94.37° , V = 5219.8 Å3 and four molecules per unit cell. Its crystal structure was determined and refined down to R1 = 0.0504, wR2 = 0.0667. The structure of the title compound, (C5H6N)7(BiCl6)2(NO3) consists of seven monoprotonated pyridinium (C5H6N)+ cations, two independent octahedron [BiCl6]3- and an isolated NO3- anion. These entities are linked together through N-H.....Cl and N-H.....O hydrogen bonds, originating from the (C5H6N)+ groups and the isolated anion of nitrate to forming a three dimensional network.

scholarly journals Synthesis, Crystal structure, Vibrational, Optical and Dielectric properties Of 2-(2-Aminoethyl)-1-methylpyrrolidinum chloride hexachlorobismuthate (III) monohydrate [C7H18N2]2ClBiCl6.H2O

2013 ◽  
Vol 9 (3) ◽  
pp. 2005-2022 ◽  
Author(s):  
Fayçal Ben Tahar ◽  
Chakib Hrizi ◽  
Slaheddine Chaabouni ◽  
Nassira Chniba-Boudjada ◽  
Nicolas Ratel Ramond ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dielectric Properties ◽  
Room Temperature ◽  
Three Dimensional ◽  
Free Water ◽  
Unit Cell ◽  
Water Molecules ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Vis Spectroscopy

Synthesis, crystal structure, vibrational and dielectric properties of [C7H18N2]2ClBiCl6.H2O are reported. The compound crystallizes at room temperature in the orthorhombic system, space group P212121, with the following unit cell parameters : a = 7.5500(6) Å, b = 18.3780(2) Å, c = 19.8980(13) Å, V = 2760.9(4) Å3 and four molecules per unit cell. The structure has been solved by three-dimensional Patterson synthesis and refined by least-squares analysis (R1 = 0.0463, wR2 = 0.0764). The crystal structure of the title compound, [C7H18N2]2ClBiCl6.H2O consists of 2-(2-Aminoethyl)-1-methylpyrrolidinium cations, [BiCl6]3- anions, Cl- anions and free water molecules. The Bi(III) cation is coordinated by six Cl- anions in slightly distorsed octahedral geometry. In the crystal, extensive intermolecular N-H…Cl hydrogen bonds occur. The charge-transfer (CT) interactions between 2-(2-Aminoethyl)-1-methylpyrrolidinium cation and the anionic hosts have been revealed by structural analysis and UV-vis spectroscopy. The dielectric properties have been investigated at temperature range from 100 to 300 K at various frequencies (1 KHz – 1 MHz). The evolution of dielectric constant as a function of temperature and frequency of pellet has been investigated in order to determine some related parameters.

scholarly journals Crystallographic and Computational Study of Purine: Caffeine Derivative

2014 ◽  
Vol 2014 ◽  
pp. 1-6
Author(s):  
Ahmed F. Mabied ◽  
Elsayed M. Shalaby ◽  
Hamdia A. Zayed ◽  
Ibrahim S. A. Farag
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Molecular Mechanics ◽  
Computational Study ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Monoclinic System ◽  
Purine Derivative ◽  
Cell Parameters

The crystal structure of substituted purine derivative, 8-(3-butyl-4-phenyl-2,3-dihydrothiazol-2-ylidene)hydrazino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-diones, caffeine derivative, has been determined. It crystallized in monoclinic system and space group P21/c with unit cell parameters a = 15.2634 (9), b = 13.4692 (9), c = 11.9761 (7) Å, and β = 108.825 (3)°. Although each constituting moiety of the structure individually is planar, nonplanar configuration for the whole molecule was noticed. Molecular mechanics computations indicated the same nonplanar feature of the whole molecule. A network of intermolecular hydrogen bonds contacts and π interactions stabilized the structure.

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.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

scholarly journals Crystal structure of β-D,L-fructose

2015 ◽  
Vol 71 (10) ◽  
pp. o719-o720 ◽  
Author(s):  
Tomohiko Ishii ◽  
Tatsuya Senoo ◽  
Akihide Yoshihara ◽  
Kazuhiro Fukada ◽  
Genta Sakane
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Equimolar Mixture ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C6H12O6, was crystallized from an aqueous solution of equimolar mixture of D- and L-fructose (1,3,4,5,6-pentahydroxyhexan-2-one,arabino-hexulose or levulose), and it was confirmed that D-fructose (or L-fructose) formed β-pyranose with a2C5(or5C2) conformation. In the crystal, two O—H...O hydrogen bonds between the hydroxy groups at the C-1 and C-3 positions, and at the C-4 and C-5 positions connect homochiral molecules into a column along theaaxis. The columns are linked by other O—H...O hydrogen bonds between D- and L-fructose molecules, forming a three-dimensional network.

scholarly journals Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
M. K. Dhatchaiyini ◽  
M. NizamMohideen ◽  
G. Rajasekar ◽  
A. Bhaskaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Number ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound K ◽  
Bond Lengths ◽  
Dimensional Network

In the tetraborate anion of the title compound, K2[B4O5(OH)4]·H2O, the bridging B—O bond lengths of the tetrahedral BO4 and the trigonal-planar BO3 units are slightly longer than the corresponding terminal B—OH bond lengths. The crystal structure is stabilized by intermolecular O—H...O, O—H...Owater and Owater—H...O hydrogen bonds, generating a three-dimensional network. The two potassium cations both show a coordination number of 9.

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

2014 ◽  
Vol 70 (10) ◽  
pp. o1106-o1106
Author(s):  
Yong-Le Zhang ◽  
Chuang Zhang ◽  
Wei Guo ◽  
Jing Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H...N hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

Ammonium 4-chloropyridine-3-sulfonate

2006 ◽  
Vol 62 (4) ◽  
pp. o1488-o1489
Author(s):  
Tie-Han Li ◽  
Xin-Biao Mao ◽  
Qing-Bao Song ◽  
Chun-An Ma
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Hydrolysis Of

The title compound, NH4 +·C5H3ClNO3S−, was prepared by the hydrolysis of 4-chloropyridine-3-sulfonamide. In the crystal structure, a three-dimensional network is formed via N—H...O [H...O = 1.97 (3)–2.41 (2) Å] and N—H...N [H...N = 2.13 (3) Å] hydrogen bonds.

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