Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes

2000 ◽  
Vol 24 (3) ◽  
pp. 143-147 ◽  
Author(s):  
Venkat R. Thalladi ◽  
Tanja Smolka ◽  
Annette Gehrke ◽  
Roland Boese ◽  
Reiner Sustmann
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Molecular Complexes ◽  
Weak Hydrogen Bonds

Crystal Structures of Three Di- and Tetrabenzylterephthalamides

2011 ◽  
Vol 66 (1) ◽  
pp. 83-87
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
General Pattern ◽  
Inversion Symmetry ◽  
Short Axis ◽  
X Ray ◽  
Π Interactions ◽  
Weak Hydrogen Bonds ◽  
Crystallographic Symmetry

The X-ray crystal structures of the three compounds N,N’-dibenzylterephthalamide, 1, N,N’-dibenzyl- N,N’-dimethylterephthalamide, 2, and N,N,N’ ,N’-tetrabenzylterephthalamide, 3, were determined. Compound 1 fits into the general pattern of disubstituted terephthalamides, with crystallographic inversion symmetry and classical hydrogen bonds linking the molecules into chains parallel to the short axis. Compound 2 also displays inversion symmetry, but the packing only involves two weak hydrogen bonds of the form C-Hmethyl ・ ・ ・ O. The complex packing of compound 3, which possesses no crystallographic symmetry, involves only two C-H・ ・ ・O contacts; these are augmented by three C-H・ ・ ・π interactions

scholarly journals Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution

CrystEngComm ◽  
2018 ◽  
Vol 20 (22) ◽  
pp. 3074-3083 ◽  
Author(s):  
Lucy K. Saunders ◽  
Harriott Nowell ◽  
Helen C. E. Spencer ◽  
Lauren E. Hatcher ◽  
Helena J. Shepherd ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Molecular Complexes ◽  
Proton Sponge ◽  
Substituent Group ◽  
Weak Hydrogen Bonds ◽  
Electronic Character

Varying the electronic character of the acid co-former substituent group predictably alters weak and strong intermolecular interactions.

Formamidinium Salts of Low Valent Metal Halide Anions MX3 – (M = Ge, Sn) and M2X62– (M = Ga, In)

2004 ◽  
Vol 59 (11-12) ◽  
pp. 1524-1531 ◽  
Author(s):  
Xin Tian ◽  
Tania Pape ◽  
Norbert W. Mitzel
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Crystal Structures ◽  
Raman Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Metal Metal ◽  
Weak Hydrogen Bonds ◽  
Low Valent

Tetramethylformamidinium trichlorogermanite, [CH(NMe2)2][GeCl3], tetramethylformamidinium trichlorostannite, [CH(NMe2)2][SnCl3], bis-(tetramethylformamidinium hexaiododigallate, [CH(NMe2)2]2[Ga2I6] and bis-(tetramethylformamidinium hexachlorodiindate, [CH(NMe2)2]2[In2Cl6] have been prepared by the reactions between tetramethylformamidinium chloride, [CH(NMe2)2]Cl, and the corresponding low valent halides GeCl2 (as dioxane adduct), SnCl2, “GaI” and InCl. Their crystal structures have been determined by single crystal X-ray diffraction. [CH(NMe2)2][GeCl3] aggregates in a centrosymmetric dimeric structure, in which two trigonal pyramidal GeCl3 units are connected together by two weak Ge···Cl bonds and each Ge atom is bonded to one cation by a weak Ge···N contact. Two sets of weak hydrogen bonds C-H···Cl are observed with bond lengths of 2.87(2) Å and 2.85(2) Å . In [CH(NMe2)2][SnCl3], the SnCl3 − units adopts a (3+3) coordination with three normal Sn-Cl bonds and three weak Sn···Cl contacts. [CH(NMe2)2]2[Ga2I6] and [CH(NMe2)2]2[In2Cl6] contain metal-metal bonded anions with distorted staggered ethane-like conformations. The metal-metal bond lengths are 2.423(1) Å (Ga-Ga) and 2.719(1) Å (In-In). Their Raman spectra contain intense bands at 118.7 cm−1(Ga-Ga) and 174.7 cm−1(In-In) associated with metal-metal stretching modes.

One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine

2014 ◽  
Vol 14 (4) ◽  
pp. 1851-1864 ◽  
Author(s):  
Eugene A. Kapustin ◽  
Vasily S. Minkov ◽  
Jernej Stare ◽  
Elena V. Boldyreva
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures

Die Kristallstrukturen von PHF4, PH2F3 und PHF2. Moden molekularer Packung bei tiefer Temperatur [1] / The Crystal Structures of PHF4, PH2F3 and PHF2. Molecular Packing Modes at Low Temperature

1997 ◽  
Vol 52 (9) ◽  
pp. 1051-1054 ◽  
Author(s):  
Martin Frank Klapdor ◽  
Helmut Beckers ◽  
Wolfgang Poll ◽  
Dietrich Mootz
Keyword(s):  
Low Temperature ◽  
Hydrogen Bonds ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Crystal Structures ◽  
Molecular Packing ◽  
Gas Phases ◽  
Weak Hydrogen Bonds

The title com pounds have been prepared in partly new ways and their crystal structures determined. The molecular geometries are found similar to those of the respective gas phases and those obtained by ab initio calculations. On the intermolecular level, there are indications of weak hydrogen bonds P-H···F in all three structures and of likewise weak fluorine bridges P-F···P in PH2F3 and PHF2 with the latter further featuring a close P···P contact.

scholarly journals Структура и динамика цепочек водородных связей молекул фтористого водорода внутри углеродных нанотрубок

2020 ◽  
Vol 62 (11) ◽  
pp. 1968
Author(s):  
А.В. Савин ◽  
О.И. Савина
Keyword(s):  
Hydrogen Bonds ◽  
Hydrogen Fluoride ◽  
Molecular Complexes ◽  
Thermal Fluctuations ◽  
Single Wall Carbon Nanotubes ◽  
Internal Cavity ◽  
Hydroxyl Groups ◽  
Proton Conducting ◽  
Winding Insulation

Using the method of molecular dynamics, it was shown that hydrogen fluoride molecules inside single-wall carbon nanotubes with a diameter D<0.85 nm form flat zigzag chains of hydrogen bonds F–H∙ ∙ ∙F–H∙ ∙ ∙F–H∙ ∙ ∙ . The chains structurally closest to the chain of hydrogen bonds of hydroxyl groups OH form hydrogen fluoride molecules inside nanotubes with a chirality index (6,6) and (10,0). In such open nanotubes with narrowed edges, hydrogen bond chains (FH) _N can completely fill their internal cavity forming a structure that is resistant to thermal fluctuations in a wide temperature range. The chains can have stationary orientation defects localized on 3-4 chain links separating parts of the chain having the opposite directions of FH molecules. The molecular complexes (FH)_N∈CNT(6,6) and (FH)_N∈CNT(10,0) can play the role of proton-conducting nanowires, in which the outer nanotube serves as a external winding (insulation) that protects and stabilizes the inner proton-conducting chain (FH)_N.

The role of weak hydrogen-bonds on the formation of short-lived molecular associations

2007 ◽  
Vol 66 (3) ◽  
pp. 739-744
Author(s):  
Ali F. Al-Shawabkeh ◽  
Haitham A. Al-Wahab ◽  
Yousif A. Shahab
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Associations ◽  
Weak Hydrogen Bonds

scholarly journals Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational Study

2016 ◽  
Vol 16 (5) ◽  
pp. 2631-2639 ◽  
Author(s):  
Gustavo Portalone ◽  
Jani O. Moilanen ◽  
Heikki M. Tuononen ◽  
Kari Rissanen
Keyword(s):  
Hydrogen Bonds ◽  
Computational Study ◽  
Halogen Bonds ◽  
Weak Hydrogen Bonds

Addukte Aromat/Chlorwasserstoff bei tiefen Temperaturen: Beiträge zu Bildung und Kristallstruktur [1] / Adducts Arene/Hydrogen Chloride at Low Temperatures: Contributions to Formation and Crystal Structure [1]

1993 ◽  
Vol 48 (5) ◽  
pp. 571-576 ◽  
Author(s):  
Axel Deeg ◽  
Dietrich Mootz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Hydrogen Chloride ◽  
Low Temperatures ◽  
Unit Cell ◽  
Aromatic System ◽  
Space Group ◽  
Weak Hydrogen Bonds

The melting diagrams of the systems benzene-HCl, toluene-HCl and mesitylene-HCl have been established and the crystal structures of two adducts determined. The adduct toluene · 2 HCl, melting incongruently at -115°C, is monoclinic with space group C2/c and Ζ = 4 formula units per unit cell; the adduct mesitylene · HCl, m. p. -64°C, is orthorhombic with space group Pbca and Ζ = 8. The HCl molecules are situated on both sides and one side, respectively, of the plane of the aromatic system and are linked to it by weak hydrogen bonds of the type Cl-H···π.

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