scholarly journals 2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
Ryosuke Abe ◽  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Aromatic Rings ◽  
Bond Lengths

Although in the title salt, C10H9N2+·CF3SO3−, the C—C and C—N bond lengths within the aromatic rings are normal, there is a considerable difference in the C—N—C angles at the protonated and unprotonated N atoms,viz. 123.42 (10) and 117.10 (11)°, respectively. Bifurcated N—H...X(X= N or O) hydrogen bonds form within the cation and between cation and anion. As a result, the cation exists in acisconformation in the solid state. An obvious π–π contact is also present between the non-protonated pyridyl rings of neighbouring cations.

scholarly journals Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide

2020 ◽  
Vol 76 (7) ◽  
pp. 1018-1021
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Functional Group ◽  
Asymmetric Unit ◽  
Isopropyl Group ◽  
Hydrogen Atoms ◽  
Bond Lengths ◽  
Compound C

The synthesis of the title compound, C13H21NO2S, is reported here along with its crystal structure. This compound crystallizes with two molecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S—C bond lengths of 1.777 (3) and 1.773 (4) Å, and S—N bond lengths of 1.622 (3) and 1.624 (3) Å. When viewing the molecules down the S—N bond, the isopropyl groups are gauche to the aromatic ring. On each molecule, two methyl hydrogen atoms of one isopropyl group are engaged in intramolecular C—H...O hydrogen bonds with a nearby sulfonamide oxygen atom. Intermolecular C—H...O hydrogen bonds and C—H...π interactions link molecules of the title compound in the solid state.

Aminkomplexe von Silber(I)-disulfonylamiden, Teil I: Sekund¨are Amine [1]

2011 ◽  
Vol 66 (5) ◽  
pp. 449-458
Author(s):  
Eva-Maria Zerbe ◽  
Christoph Wölper ◽  
Peter G. Jones
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Secondary Amine ◽  
Linear Arrays ◽  
Bond Angles ◽  
Bond Lengths ◽  
Ionic Compounds ◽  
State 1 ◽  
Molecular Compounds

We report the crystal structures of five amine-complexed silver(I) disulfonylamides of composition L2AgX (L = secondary amine, X = disulfonylamide anion) [1: bis(2,2,6,6-tetramethylpiperidine)- silver(I) dimesylamide, 2: bis(2,2,6,6-tetramethylpiperidine)(1,1,3,3-tetraoxo-1,3,2-benzodithiazolido) silver(I), 3: bis(diethylamine)(dimesylamido)silver(I), 4: bis(diethylamine)silver(I) 1,1,3,3-tetraoxo- 1,3,2-benzodithiazolide, 5: bis(dicyclohexylamine)silver(I) 1,1,3,3-tetraoxo-1,3,2-benzodithiazolide]. In the solid state 1, 4 and 5 are ionic compounds, whereas 2 and 3 appear to be molecular, but with long Ag-Ndisulfonylamide bonds (ca. 2.5 Å ), almost linear Namine-Ag-Namine bond angles (171, 158°) and S-N bond lengths more typical of purely ionic disulfonylamides. The packing of these complexes is governed by the formation of chains via motifs of Ag・ ・ ・O contacts and classical hydrogen bonds. The interaction motifs vary slightly depending on the steric demand of the amine substituents. For the molecular compounds, either new motifs appear (3) or intramolecular classical hydrogen bonds are formed, and linear arrays of molecules are generated by non-classical hydrogen bonds (2)

A 3D Chiral Hydrogen Bond Framework Based on Phenanthrolinium Hydrogen 4,5-Dichlorophthalate: Crystal Structure and Luminescent Properties

2012 ◽  
Vol 67 (1) ◽  
pp. 85-88 ◽  
Author(s):  
Bing An ◽  
Yan Bai ◽  
Fan Yang
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Uv Spectroscopy ◽  
Luminescent Properties ◽  
Aromatic Rings ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Face To Face ◽  
X Ray Crystallography ◽  
Intramolecular Hydrogen

A salt with the composition [C12H9N2][C8H3Cl2O4] (1) with 4,5-dichlorophthalic acid and 1,10- phenanthroline (phen) has been synthesized and characterized by IR, UV spectroscopy, elemental analysis, and X-ray crystallography. Compound 1 represents a 3D chiral supramolecular framework containing monohelical chains (21 axis) through multiform C-H· · ·O, O-H· · · O, N-H· · ·N intramolecular hydrogen bonds and C-H· · ·O, N-H· · ·O intermolecular hydrogen bonds. Otherwise, two types of face-to-face π · · ·π interactions between the aromatic rings are found in the solid state. The luminescent properties of compound 1 were investigated in the solid state at room temperature

The Solid State Conformation of Diaryl Ditellurides and Diselenides: The Crystal and Molecular Structures of (C4H3E2)2E'2 (E = O, S; E' = Te, Se)

2000 ◽  
Vol 55 (5) ◽  
pp. 361-368 ◽  
Author(s):  
Raija Oilunkaniemi ◽  
Risto S. Laitinen ◽  
Markku Ahlgrén
Keyword(s):  
Solid State ◽  
Lone Pair ◽  
Spectroscopic Properties ◽  
Molecular Structures ◽  
Dihedral Angles ◽  
Single Bond ◽  
Aromatic Rings ◽  
Bond Lengths ◽  
Crystal And Molecular Structures ◽  
Solid State Conformation

The crystal and molecular structures of dithienyl ditelluride (C4H3S)2Te2 (1), difuryl ditelluride (C4H3O)2Te2 (2), dithienyl diselenide (C4H3S)2Se2 (3), and difuryl diselenide (C4H3O)2Se2 (4) are reported in this paper and compared to those of other simple diaryl ditellurides and diselenides. The chalcogen-chajcogen bonds exhibit approximately single bond lengths [Te-Te = 2.7337(8) and 2.7240(4) Å in 1 and 2, respectively; Se-Se = 2.357(1) and 2.368(2) Å in 3 and 4, respectively], as do the chalcogen-carbon bond lengths [Te-C = 2.095(9) - 2.104(6) in 1 and 2.091(6) - 2.105(9) Å in 2; Se-C = 1.87(1) - 1.90(1) Å in 3 and 1.887(8) - 1.897(10) Å in 4]. The aromatic rings are disordered. The dihedral angles C-E-E-C range from 79(2) to 96(1)° are consistent with the concept of minimized p lone-pair repulsion of adjacent chalcogen atoms. The dependence of molecular parameters on the angle between the aromatic rings and the chalcogen-chalcogen bonds follow trends established previously for aromatic disulfides. Though the bond parameters and conformations of 1 - 4 are similar, the packing of the molecules is different. The two ditellurides 1 and 2 show short Te···Te contacts (3.900 - 4.002 Å in 1 and 4.060 - 4.172 Å in 2). The two diselenides 3 and 4 do not exhibit close chalcogen-chalcogen interactions. The NMR spectroscopic properties of 1 - 4 are discussed.

Synthesis and Solid-State Structure of (4-Hydroxy-3,5-diiodophenyl)phosphine Oxides. Dimeric Motifs with the Assistance of O-H···O=P Hydrogen Bonds

2015 ◽  
Vol 19 (5) ◽  
pp. 469-474 ◽  
Author(s):  
Nicholas Bewick ◽  
Agata Arendt ◽  
Yan Li ◽  
S.awomir Szafert ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Phosphine Oxides ◽  
State Structure ◽  
Solid State Structure

scholarly journals Organotin(IV) selenate derivatives – Crystal structure of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n

2021 ◽  
Vol 44 (1) ◽  
pp. 213-217
Author(s):  
Waly Diallo ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Intermolecular Hydrogen Bonds

Abstract Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.

scholarly journals Spectroscopic, X-ray Diffraction and Density Functional Theory Study of Intra- and Intermolecular Hydrogen Bonds in Ortho-(4-tolylsulfonamido)benzamides

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 926
Author(s):  
Malose J. Mphahlele ◽  
Eugene E. Onwu ◽  
Marole M. Maluleka
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Tetrahedral Geometry ◽  
Hindered Rotation ◽  
Hydrogen Bond Acceptor ◽  
Functional Theory ◽  
Vis Spectroscopy ◽  
Hydrogen Bonded

The conformations of the title compounds were determined in solution (NMR and UV-Vis spectroscopy) and in the solid state (FT-IR and XRD), complemented with density functional theory (DFT) in the gas phase. The nonequivalence of the amide protons of these compounds due to the hindered rotation of the C(O)–NH2 single bond resulted in two distinct resonances of different chemical shift values in the aromatic region of their 1H-NMR spectra. Intramolecular hydrogen bonding interactions between the carbonyl oxygen and the sulfonamide hydrogen atom were observed in the solution phase and solid state. XRD confirmed the ability of the amide moiety of this class of compounds to function as a hydrogen bond acceptor to form a six-membered hydrogen bonded ring and a donor simultaneously to form intermolecular hydrogen bonded complexes of the type N–H···O=S. The distorted tetrahedral geometry of the sulfur atom resulted in a deviation of the sulfonamide moiety from co-planarity of the anthranilamide scaffold, and this geometry enabled oxygen atoms to form hydrogen bonds in higher dimensions.

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