scholarly journals Crystal Structure, Spectroscopic and Thermal Investigations of a New 4-Ammonio-2,2,6,6-tetramethylpiperidinium Tetrachlorozincate(II)

2010 ◽  
Vol 7 (4) ◽  
pp. 1562-1570 ◽  
Author(s):  
M. El Glaoui ◽  
M. L. Mrad ◽  
E. Jeanneau ◽  
C. Nasr
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Monoclinic System ◽  
Space Group ◽  
Cell Parameters ◽  
Open Framework ◽  
Atomic Arrangement ◽  
Thermal Investigations ◽  
Physicochemical Studies

The new complex of Zn(II) with 4-ammino-2,2,6,6-tetramethylpiperidine, [C9H22N2]ZnCl4, has been prepared and characterized by various physicochemical studies. This compound crystallizes in the monoclinic system, with the space group P21/c and the following cell parameters: a = 9.8682(7), b = 7.5164(5), c = 21.019(2) Å, β = 99.003 (7)°, V = 1539.8(2) Å3and Z = 4. The crystal structure was solved and refined to R = 0.024 using 3070 reflections. The atomic arrangement can be described by slightly distorted tetrahedral ZnCl42-anions and 4-ammmonio-2,2,6,6-tetramethylpiperidinium cations holding together by different interactions. The four chlorine atoms of the ZnCl42-tetrahedron are acting as acceptors of hydrogen bonds. The crystal packing is influenced by cation-to-anion N-H…Cl and C-H…Cl hydrogen bonds leading to open framework architecture.

scholarly journals Crystal structure of gluconate 5-dehydrogenase from Lentibacter algarum

2020 ◽  
Vol 76 (5) ◽  
pp. 228-234
Author(s):  
Dengke Tian ◽  
Xueqi Fu ◽  
Wenqiang Cao ◽  
Hong Yuan
Keyword(s):  
Crystal Structure ◽  
Escherichia Coli ◽  
Structural Similarity ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
Cell Parameters ◽  
High Structural Similarity

Gluconate 5-dehydrogenase (Ga5DH; EC 1.1.1.69) from Lentibacter algarum (LaGa5DH) was recombinantly expressed in Escherichia coli and purified to homogeneity. The protein was crystallized and the crystal structure was solved at 2.1 Å resolution. The crystal belonged to the monoclinic system, with space group P1 and unit-cell parameters a = 55.42, b = 55.48, c = 79.16 Å, α = 100.51, β = 105.66, γ = 97.99°. The structure revealed LaGaDH to be a tetramer, with each subunit consisting of six α-helices and three antiparallel β-hairpins. LaGa5DH has high structural similarity to other Ga5DH proteins, demonstrating that this enzyme is highly conserved.

scholarly journals Synthese und Struktur von Zn(HSO4)2(H2SO4)2 und Cd(HSO4)2 / Synthesis and Structure of Zn(HSO4)2(H2SO4)2 und Cd(HSO4)2

1996 ◽  
Vol 51 (1) ◽  
pp. 14-18 ◽  
Author(s):  
E. Kemnitz ◽  
C. Werner ◽  
A. Stiewe ◽  
H. Worzala ◽  
S. Trojanov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Binary Systems ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
Medium Strength ◽  
Zinc Compound

Abstract From the binary systems M2SO4/H2SO4 (M = Zn, Cd), two new hydrogen sulfates, (Zn(HSO4)2(H2SO4)2 and Cd(HSO4)2, have been synthesized and structurally characterized. Both compounds crystallize in the monoclinic space group P21/c with cell parameters a = 5.047(2), b = 15.430(4), c = 7.958(3) Å and β = 104.16(4)° (Z= 2) for Zn(HSO4)2(H2SO4)2 and a = 5.339(1), b = 13.351(3), c = 8.508(2) Å and β = 92.22(3)° (Z = 4) for Cd(HSO4)2. In the zinc compound there are slightly distorted centrosymmetric ZnO6 octahedra with Zn-O distances of 2.05-2.13 A which are sharing corners with SO4 tetrahedra. HSO4 and H2SO4 tetrahedra are linked via hydrogen bonds to form layers perpendicular to the c-axis. In the crystal structure of Cd(HSO4)2 there exist two crystallographically different HSO4 tetrahedra. The CdO6 octahedra with Cd-O distances between 2.24 and 2.31 A are strongly angle-distorted. Besides hydrogen bonds of medium strength (do···o = 2.66 Å) there are also much more weaker ones (do···o = 3.04 Å). Considering these latter ones zigzag chains in z-direction can be recognized. The relatively low stability of Cd(HSO4)2 in comparison with other metal-II-hydrogen sulfates is discussed with respect to its structural pecularities.

Molecular and Crystal Structure of Sildenafil Base

2012 ◽  
Vol 67 (5) ◽  
pp. 491-494 ◽  
Author(s):  
Dmitrijs Stepanovs ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Erectile Dysfunction ◽  
Crystal Structures ◽  
Unit Cell ◽  
Sildenafil Citrate ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Sildenafil citrate monohydrate, well known as Viagra®, is a drug for the treatment of erectile dysfunction. Here we present the X-ray crystal structure of the sildenafil base, C22H30N6O4S. The compound crystallizes in the monoclinic system, space group P21/c with the unit cell parameters a = 17:273(1), b=17:0710(8), c=8:3171(4) Å , b =99:326(2), Z = 4, V = 2420:0(3) Å3. A comparison with the known crystal structures of sildenafil citrate monohydrate and sildenafil saccharinate is also presented.

The crystal structure of C.I. Pigment Red 2, 1′-(2,5-dichlorophenyl)azo-2′hydroxy-3′-phenylamidonaphthalene

1977 ◽  
Vol 146 (4-6) ◽  
Author(s):  
A. Whitaker
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Intramolecular Hydrogen

AbstractThe crystal and molecular structure of C.I. Pigment Red 2, l′-(2,5-dichlorophenyl)azo-2′-hydroxy-3′-phenylamidonaphthalene has been determined by x-ray diffraction techniques. It crystallizes in the monoclinic system with cell parametersThe hydrogen atoms have been found and included but not refined. The final residual is 15.3%. The molecule is probably in the form of the hydrazone tautomer. The intramolecular hydrogen bonds keep most of the molecule approximately planar while it appears that the remainder is held in the same plane due to steric hinderence between the molecules. The molecules are packed in columns with alternate molecules antiparallel and are linked by van der Waals forces.

scholarly journals SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF THE 1:1 PROTON TRANSFER SALT OF MALONIC ACID WITH P-CHLOROANILINE

2017 ◽  
Vol 14 (28) ◽  
pp. 66-71
Author(s):  
Gerson E. DELGADO ◽  
Lusbely BELANDRIA ◽  
Asiloé J. MORA ◽  
Julia BRUNO-COLMENÁREZ ◽  
Gustavo MARROQUÍN
Keyword(s):  
Hydrogen Bonds ◽  
Malonic Acid ◽  
Crystal Packing ◽  
Chemical Properties ◽  
Supramolecular Assembly ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

The design of multicomponent crystals offers a means to modify the physicochemical properties of crystals without altering the chemical properties of a particular molecule. In this study, a multicomponent crystal, the salt of malonic acid with p-chloroaniline, was synthetized and structurally characterized. The title compound wasprepared by grinding in an agate mortar, and its structure was studied by powder and single-crystal X-ray diffraction. This compound crystallize in the monoclinic system with space group P21/c, Z = 4, and unit cell parameters a = 12.9776(7)Å, b = 9.2308(5)Å, c = 8.5170(5)Å, β = 93.474(3)°. The multicomponent compound, p-chloroanilinium semi-malonate, can be described as an ionic ensemble assisted by hydrogen bonds established between p-chloroanilinium cations and semi-malonate anions. The molecular structure and crystal packing are stabilized mainly by intermolecular O-H•••O and N-H•••O hydrogen bonds interactions. The molecules construct a supramolecular assembly with a two-dimensional hydrogen bonded network along the ca plane.

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 and Crystal Structure of 1-Methyl-3-(2-pyridyl)imidazolium Hexafluorophosphate

2014 ◽  
Vol 2014 ◽  
pp. 1-4
Author(s):  
Elango Kandasamy
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Weak Interactions ◽  
Unit Cell ◽  
State Structure ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

Compound 1-Methyl-3-(2-pyridyl)imidazolium hexafluorophosphate was crystallized in monoclinic system with space group P21/c and unit cell parameters a=7.3740(8) Å, b=15.5931(16) Å, c=10.4787(11) Å, β= 105.3102°, and  ν=1162.12Å3. The obtained solid state structure of 1-Methyl-3-(2-pyridyl)imidazolium hexafluorophosphate shows CH⋯F type weak interactions and was analyzed.

Two new organic-selenate salts: syntheses and crystal structures of bis(di-iso-propylammonium) selenate and di-n-butylammonium hydrogenoselenate

2017 ◽  
Vol 72 (6) ◽  
pp. 425-432
Author(s):  
Waly Diallo ◽  
Libasse Diop ◽  
Cheikh Abdoul Khadir Diop ◽  
Laurent Plasseraud ◽  
Hélène Cattey
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Elemental Analysis ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Structural Characterizations

AbstractTwo new dialkyammonium selenate salts [i-Pr2NH2]2[SeO4] (1) and [n-Bu2NH2][HSeO4] (2) have been isolated and characterized by single-crystal X-ray diffraction. Salt 1 crystallizes in the monoclinic system, space group P21/n with a=8.7190(5), b=8.8500(4), c=22.5953(9) Å, β=94.6290(17)°, V=1737.84(14) Å3 and Z=4. Salt 2 crystallizes in the monoclinic system space group P21/n with a=10.9328(9), b=8.1700(6), c=13.8095(11) Å, β=97.130(3)°, V=1223.94(17) Å3 and Z=4. In both salts, dialkylammonium cations and selenate anions are connected through NH···O and OH···O hydrogen bonds. In the crystal structure, 1 and 2 are organized in layer-like arrangements. Structural characterizations were completed by infrared and 1H, 13C{1H} and 77Se NMR spectroscopy and elemental analysis which corroborate the X-ray elucidations.

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.

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