scholarly journals Bis(3-phenylpropylammonium) dichromate (VI): Synthesis, crystal structure and spectroscopy studies

2016 ◽  
Vol 11 (1) ◽  
pp. 3394-3403 ◽  
Author(s):  
Sonia Trabelsi ◽  
Thierry Roisnel ◽  
Houda Marouani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Spectroscopic Studies ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Dichromate Anions ◽  
Spectroscopy Studies

The structure of bis(3-Phenylpropylammonium) dichromate(VI) was determined from X-ray diffraction data. The compound crystallizes in the monoclinic system (space group P21/c) with the lattice parameters: a = 7.9379(2) Å, b = 36.2439(16) Å, c = 7.5753(3) Å; B = 96.069(2); V= 2167.20(14) Å3 and Z = 4. The structure was solved from 4959 independent reflections with R = 0.043 and Rw = 0.105. The structure consists of discrete dichromate anions (Cr2O72-) with eclipsed conformation stacked in layers parallel to (a, c) plane at y = 0 and ½. These anions are linked via the 3-phenylpropylammonium cations by N—H…O and C—H…O hydrogen bonds, forming a two-dimensional supramolecular network. Crystal structure and spectroscopic studies are reported for the bis(3-phenylpropylammonium) dichromate(VI).

scholarly journals X-ray Crystallographic Study of Ranaconitine

2011 ◽  
Vol 6 (11) ◽  
pp. 1934578X1100601
Author(s):  
Yang Li ◽  
Jun-Hui Zhou ◽  
Gui-Jun Han ◽  
Min-Juan Wang ◽  
Wen-Ji Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Critical Role ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Crystallographic Study ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal structure of natural diterpenoid alkaloid ranaconitine isolated from Aconitum sinomontanum Nakai has been determined by single crystal X-ray diffraction analysis. The crystal presents a monoclinic system, space group C2 with Z = 4, unit cell dimensions a = 30.972(19) Å, b = 7.688(5) Å, and c = 19.632(12) Å. Moreover, the intermolecular O–H···O hydrogen bonds and weak π-π interactions play a critical role in expanding the dimensionality.

Two new CdII MOFs of 1,4-bis(1H-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe3+

2020 ◽  
Vol 76 (11) ◽  
pp. 1024-1033
Author(s):  
Fang-Hua Zhao ◽  
Shi-Yao Li ◽  
Wen-Yu Guo ◽  
Zi-Hao Zhao ◽  
Xiao-Wen Guo ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Layer Structure ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vis Spectroscopy

Two new CdII MOFs, namely, two-dimensional (2D) poly[[[μ2-1,4-bis(1H-benzimidazol-1-yl)butane](μ2-heptanedioato)cadmium(II)] tetrahydrate], {[Cd(C7H10O4)(C18H18N4)]·4H2O} n or {[Cd(Pim)(bbimb)]·4H2O} n (1), and 2D poly[diaqua[μ2-1,4-bis(1H-benzimidazol-1-yl)butane](μ4-decanedioato)(μ2-decanedioato)dicadmium(II)], [Cd2(C10H16O4)2(C18H18N4)(H2O)2] n or [Cd(Seb)(bbimb)0.5(H2O)] n (2), have been synthesized hydrothermally based on the 1,4-bis(1H-benzimidazol-1-yl)butane (bbimb) and pimelate (Pim2−, heptanedioate) or sebacate (Seb2−, decanedioate) ligands. Both MOFs were structurally characterized by single-crystal X-ray diffraction. In 1, the CdII centres are connected by bbimb and Pim2− ligands to generate a 2D sql layer structure with an octameric (H2O)8 water cluster. The 2D layers are further connected by O—H...O hydrogen bonds, resulting in a three-dimensional (3D) supramolecular structure. In 2, the CdII centres are coordinated by Seb2− ligands to form binuclear Cd2 units which are linked by bbimb and Seb2− ligands into a 2D hxl layer. The 2D layers are further connected by O—H...O hydrogen bonds, leading to an 8-connected 3D hex supramolecular network. IR and UV–Vis spectroscopy, thermogravimetric analysis and solid-state photoluminescence analysis were carried out on both MOFs. Luminescence sensing experiments reveal that both MOFs have good selective sensing towards Fe3+ in aqueous solution.

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, Crystal Structure and IR Spectrum studies of 2-(4-Methyl-2-phenyl-4,5-dihydro-oxazol-4-ylmethyl)- isoindole-1,3-dione

2019 ◽  
Vol 9 (2) ◽  
pp. 116-124 ◽  
Author(s):  
Alami Anouar ◽  
Khadim Dioukhane ◽  
Younas Aouine ◽  
Mohamed El Omari ◽  
Lahcen El Ammari ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Least Squares Method ◽  
Spectroscopic Studies ◽  
Amino Compound ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Complete Matrix

The organo-amino compound of title 2-(4-methyl-2-phenyl-4,5-dihydro-oxazol-4-ylmethyl)-isoindole-1,3-dione was synthesized by the mixture of (4-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)methyl-4-methylbenzenesulfonate and isoindoline-1,3-dione in N,N-dimethylformamide with a yield of around 65%. The structural study of the compound, C19H16N2O3, is realized using single crystal X-Ray diffraction which shows that this compound crystallizes in the monoclinic system (P21/c, Z = 4) with the unit cell parameters: a = 14.3728 (13) Ã…, b = 9.6829 (10) Ã…, c = 11.8964 (12) Ã… and β = 107.384 (3). The refinement of the structure by the least-squares method with complete matrix leads to the following reliability factors R/Rw are 0.044/0.130.In the crystal, the molecules are linked together by hydrogen bonds and π…π interactions.The Infrared spectroscopic studies show the bands confirming the presence of the groups C=O, C-O, C-N, -CH3, -CH2 and =CH. 

Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH2 connectors and solvent molecules

2001 ◽  
Vol 57 (3) ◽  
pp. 303-310 ◽  
Author(s):  
Andrea Deák ◽  
Alajos Kálmán ◽  
László Párkányi ◽  
Ionel Haiduc
Keyword(s):  
Hydrogen Bonds ◽  
Mixed Ligand ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Hexagonal Grid ◽  
X Ray ◽  
Solvent Molecules ◽  
Supramolecular Networks

The cobalt(II) and nickel(II) cupferronato (N-nitroso-N-phenylhydroxylaminato) mixed-ligand complexes of 2-aminopyridine (2-NH2py) [Co(PhN2O2)2(2-NH2py)2] (1), [Ni(PhN2O2)2(2-NH2py)2] (2) and 2,6-diamino-4-phenyl-1,3,5-triazine (dpt) [Co(PhN2O2)2(dpt)2]·[Co(PhN2O2)2(EtOH)2] (3) have been synthesized and characterized by X-ray diffraction analysis. The cobalt (1) and nickel (2) complexes are isostructural. The crystal lattice of (3) contains different neutral cobalt(II) complexes [Co(PhN2O2)2(dpt)2] (3a) and [Co(PhN2O2)2(EtOH)2] (3b). Molecules of (1)–(3) contain octahedral metal centres with all-cis-(1) and -(2) and all-trans-(3) disposal of the ligands. Intramolecular N—H...O hydrogen bonding between the NH2 groups and the O atom of the cupferronato anion can be observed in (1)–(3). Intermolecular N—H...O and N—H...N interactions between symmetry-related molecules of (1) and (2) led to hexameric aggregates which connect through common edges into a two-dimensional supramolecular network of hexagonal-grid type. In complex (3) the self-complementary dpt units of the (3a) molecules are maintained by intermolecular N—H...N hydrogen bonds, generating infinite chains. These (3a) chains are crosslinked by the (3b) subunits via N—H...O and O—H...N hydrogen bonds, thus completing the parallel two-dimensional supramolecular network consisting of pseudo-hexagonal-grid sheets. In each crystal structure the two-dimensional supramolecular networks are controlled by both hydrogen bonds and π...π stacking interactions.

A new organically templated magnesium sulfate: structure, spectroscopic analysis, and thermal behaviour

2014 ◽  
Vol 68 (2) ◽  
Author(s):  
Dhouha Hassan ◽  
Walid Rekik ◽  
Houcine Naïli ◽  
Tahar Mhiri
Keyword(s):  
Thermal Decomposition ◽  
Hydrogen Bonds ◽  
Magnesium Sulfate ◽  
Spectroscopic Analysis ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Slow Evaporation ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray

AbstractA new magnesium sulfate templated by 2-methylpiperazine, (C5H14N2)[Mg(H2O)6](SO4)2, was prepared by the slow evaporation method. The obtained crystals were investigated by the Raman and FTIR spectroscopy and crystallographically characterised by single-crystal X-ray diffraction. The compound crystallises in the monoclinic system, space group P21/n. Supramolecular network of this hybrid material consists of Mg2+ cations octahedrally coordinated by six water molecules, sulfate tetrahedra and protonated and disordered diamine linked together by two types of hydrogen bonds: OW—H…O and N—H…O. Dehydration of the title compound takes place in three steps. Thermal decomposition of the anhydrous phase consists in the loss of the organic moiety and one sulfate group leading to the formation of magnesium sulfate.

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 X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers

2020 ◽  
Vol 76 (12) ◽  
pp. 1859-1862
Author(s):  
Jay Quentin ◽  
Eric W. Reinheimer ◽  
Leonard R. MacGillivray
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Structural Features ◽  
The Other ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Packing Assembly

The molecular structure of trans-bis(pyridin-3-yl)ethylene (3,3′-bpe), C12H10N2, as determined by single-crystal X-ray diffraction is reported. The molecule self-assembles into two dimensional arrays by a combination of C—H...N hydrogen bonds and edge-to-face C—H...π interactions that stack in a herringbone arrangement perpendicular to the crystallographic c-axis. The supramolecular forces that direct the packing of 3,3′-bpe as well as its packing assembly within the crystal are also compared to those observed within the structures of the other symmetrical isomers trans-1,2-bis(n-pyridyl)ethylene ( n , n ′-bpe, where n = n′ = 2 or 4).

scholarly journals Crystal structure of 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1H)-one and 3-benzyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1H)-one from synchrotron X-ray diffraction

2018 ◽  
Vol 74 (1) ◽  
pp. 10-14
Author(s):  
Flavien A. A. Toze ◽  
Vladimir P. Zaytsev ◽  
Lala V. Chervyakova ◽  
Elisaveta A. Kvyatkovskaya ◽  
Pavel V. Dorovatovskii ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Axial Position ◽  
Isatoic Anhydride ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Angles ◽  
Pyramidal Geometry ◽  
Three Component Reaction ◽  
Racemic Crystals

The chiral title compounds, C21H18N2O2, (I), and C21H18N2OS, (II) – products of the three-component reaction between benzylamine, isatoic anhydride and furyl- or thienyl-acrolein – are isostructural and form isomorphous racemic crystals. The tetrahydropyrimidine ring in (I) and (II) adopts a sofa conformation. The amino N atom has a trigonal–pyramidal geometry [sum of the bond angles is 347.0° for both (I) and (II)], whereas the amido N atom is flat [sum of the bond angles is 359.3° for both (I) and (II)]. The furyl- and thienylethenyl substituents in (I) and (II) are planar and the conformation about the bridging C=C bond isE. These bulky fragments occupy the axial position at the quaternary C atom of the tetrahydropyrimidine ring, apparently, due to steric reasons. In the crystals, molecules of (I) and (II) form hydrogen-bonded helicoidal chains propagating along [010] by strong intermolecular N—H...O hydrogen bonds.

Two-dimensional lanthanide(III) coordination polymers: solvothermal synthesis, crystal structure, and stability

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Runmei Ding ◽  
Zixin He ◽  
Meilin Wang ◽  
Danian Tian ◽  
Peipei Cen
Keyword(s):  
Crystal Structure ◽  
Coordination Polymers ◽  
Solvothermal Synthesis ◽  
Analysis Data ◽  
Water Stability ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Solvothermal Conditions

AbstractBased on 2-(4-pyridyl)-terephthalate (H2pta) and oxalate ligands, two new lanthanide-containing coordination polymers (CPs), [Tb(pta)(C2O4)0.5(H2O)2)]·2H2O (1) and [Sm(pta)(C2O4)0.5(H2O)2)]·2H2O (2), have been synthesized under solvothermal conditions. The structures of both 1 and 2 have been determined by single-crystal X-ray diffraction. Infrared, elemental analysis, powder X-ray diffraction and thermogravimetric analysis data are also presented. The crystals of 1 and 2 exhibit isostructural layer-like networks, crystallizing in the triclinic space group P$‾{1}$. The layers are further stabilized and associated into 3D architectures through hydrogen bonding. Remarkably, the CPs 1 and 2 exhibit excellent water stability and remarkable thermostability with thermal decomposition temperatures of more than 420 °C.

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