Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4– and TCNQ•– Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums

2011 ◽  
Vol 12 (2) ◽  
pp. 804-810 ◽  
Author(s):  
Tsuyoshi Murata ◽  
Eigo Miyazaki ◽  
Takuji Yokoyama ◽  
Kazuhiro Nakasuji ◽  
Yasushi Morita
Keyword(s):  
Hydrogen Bond ◽  
Physical Properties ◽  
Intermolecular Hydrogen Bond ◽  
Hydrogen Bond Networks

Hydrogen bond competition between chemical groups: new methodology and the Cambridge Structural Database

2005 ◽  
Vol 220 (4) ◽  
Author(s):  
Lourdes Infantes ◽  
W. D. Sam Motherwell
Keyword(s):  
Hydrogen Bond ◽  
Intermolecular Hydrogen Bond ◽  
Intramolecular Hydrogen Bonding ◽  
Cambridge Structural Database ◽  
Strong Hydrogen Bond ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Interactions ◽  
Hydrogen Bond Networks ◽  
Structural Database ◽  
Chemical Groups

AbstractThe probabilities of formation of intermolecular hydrogen bond interactions between chemical groups have been studied using new methodology to extract information from the Cambridge Structural Database (CSD). Data for 41052 crystal structures containing at least one strong hydrogen bond donor have been analysed using the RPluto program, assigning 108 chemical group codes to atoms, and creating tables of hydrogen contacts for subsequent analysis using the Access relational database software. This has enabled the study of competition effects where there are specified limited numbers of chemical groups in a structure, which is often difficult with the standard CSD search program, ConQuest. There are sufficiently high numbers of certain combinations of groups to make significant observations of the preference of a given donor for choices of acceptor atoms. For example, COOH…COOH contacts are frequently disrupted by groups such as keto carbonyl, whereas CONH…CONH is very robust and is seldom disrupted. There are a surprising number of structures that do not present any intermolecular hydrogen bond interactions, often due to intramolecular hydrogen bonding taking preference. There is a tendency to use as many groups as possible to build intermolecular hydrogen bond networks. An estimate is made of the relative strengths of self-association interactions which are, in decreasing order, CONH, COOH, alcoholic OH and phenolic OH. The frequency of preferred contacts in some cases allows one to predict the most probable contacts for a given molecule with a specific combination and ratio of chemical groups.

scholarly journals Synthesis, Structure, and Physical Properties for a Series of Monomeric Iron(III) Hydroxo Complexes with Varying Hydrogen-Bond Networks

2008 ◽  
Vol 47 (13) ◽  
pp. 5780-5786 ◽  
Author(s):  
Jhumpa Mukherjee ◽  
Robie L. Lucas ◽  
Matthew K. Zart ◽  
Douglas R. Powell ◽  
Victor W. Day ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Physical Properties ◽  
Hydroxo Complexes ◽  
Hydrogen Bond Networks

The Hydrogen Bond Networks in Nicinquinium Salts

2000 ◽  
Vol 55 (11) ◽  
pp. 1020-1024 ◽  
Author(s):  
Teresa Borowiak ◽  
Grzegorz Dutkiewicz ◽  
Jacek Thiel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Intermolecular Hydrogen Bond ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Hydrogen Bond System ◽  
Hydrogen Bond Networks ◽  
Network Of Hydrogen Bonds ◽  
The Absolute

Abstract Crystals of nicinquinium chloride and bromide incorporate water molecules due to the im­ balance of hydrogen bond donors and acceptors. The resulting intermolecular hydrogen bond system indicates a better proton accepting ability of chloride ions than bromide ions. The chlo­ ride anions accept four hydrogen bonds in an almost tetrahedral arrangement whereas only two are formed with the bromide anions. As a consequence in the crystal structure of the chloride a three dimensional network of hydrogen bonds is formed, while in that of the bromide only chains of hydrogen bonded species exist. Both cations retain the absolute configuration of all asymmetric carbon atoms as compared with the absolute configuration of the parent cinchonine.

High proton conductivity in a nickel(ii) complex and its hybrid membrane

2019 ◽  
Vol 48 (6) ◽  
pp. 2190-2196 ◽  
Author(s):  
Shuai-Liang Yang ◽  
Yue-Ying Yuan ◽  
Fei Ren ◽  
Chen-Xi Zhang ◽  
Qing-Lun Wang
Keyword(s):  
Hydrogen Bond ◽  
Proton Conductivity ◽  
Hybrid Membrane ◽  
Water Molecules ◽  
Hybrid Membranes ◽  
High Proton Conductivity ◽  
High Proton ◽  
Hydrogen Bond Networks

A novel 2D nickel(ii) complex (1) has been successfully synthesized using a 2,2′-bipyridyl, polycarboxylsulfonate ligand H4SBTC and Ni2+ ions. Owing to the presence of abundant water molecules, hydrogen bond networks and other protons, 1 and its hybrid membranes demonstrate high proton conductivity.

Synthesis and characterization of photothermal antibacterial hydrogel with enhanced mechanical properties

2021 ◽  
Author(s):  
Shu bin Li ◽  
Xiao Wang ◽  
Jiang Zhu ◽  
Zhenyu Wang ◽  
Lu Wang
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bond ◽  
Fe3o4 Nanoparticles ◽  
Intermolecular Hydrogen Bond ◽  
Amide Bond ◽  
Synthesis And Characterization

In this work, using carboxyl-modified Fe3O4 nanoparticles as a photothermal agent, combining the chemical amide bond and intermolecular hydrogen bond crosslinking force, a photothermal hydrogel with enhanced mechanical properties was...

scholarly journals Crystal-to-Crystal Transformation from K2[Co(C2O4)2(H2O)2]·4H2O to K2[Co(μ-C2O4)(C2O4)]

2021 ◽  
Vol 7 (6) ◽  
pp. 77
Author(s):  
Bin Zhang ◽  
Yan Zhang ◽  
Guangcai Chang ◽  
Zheming Wang ◽  
Daoben Zhu
Keyword(s):  
Hydrogen Bond ◽  
Physical Properties ◽  
Crystal Structures ◽  
Molecular Crystal ◽  
Trigonal Prism ◽  
Space Group ◽  
Cell Parameters ◽  
Oxalate Anion ◽  
Crystal Transformation ◽  
Antiferromagnetic Ordering

Crystal-to-crystal transformation is a path to obtain crystals with different crystal structures and physical properties. K2[Co(C2O4)2(H2O)2]·4H2O (1) is obtained from K2C2O4·2H2O, CoCl2·6H2O in H2O with a yield of 60%. It is crystallized in the triclinic with space group P1 and cell parameters: a = 7.684(1) Å, b = 9.011(1) Å, c = 10.874(1) Å, α = 72.151(2)°, β = 70.278(2)°, γ = 80.430(2)°, V = 670.0(1) Å3, Z = 2 at 100 K. 1 is composed of K+, mononuclear anion [Co(C2O4)2(H2O)22−] and H2O. Co2+ is coordinated by two bidentated oxalate anion and two H2O in an octahedron environment. There is a hydrogen bond between mononuclear anion [Co(C2O4)2(H2O)22−] and H2O. K2[Co(μ-C2O4)(C2O4)] (2) is obtained from 1 by dehydration. The cell parameters of 2 are a = 8.460(5) Å, b = 6.906 (4) Å, c = 14.657(8) Å, β = 93.11(1)°, V = 855.0(8) Å3 at 100 K, with space group in P2/c. It is composed of K+ and zigzag [Co(μ-C2O4)(C2O42−]n chain. Co2+ is coordinated by two bisbendentate oxalate and one bidentated oxalate anion in trigonal-prism. 1 is an antiferromagnetic molecular crystal. The antiferromagnetic ordering at 8.2 K is observed in 2.

Configurational and conformational studies on condensation products of biogenic amines with 2,5-anhydro-D-mannose

1985 ◽  
Vol 63 (11) ◽  
pp. 2915-2921 ◽  
Author(s):  
Ian M. Piper ◽  
David B. MacLean ◽  
Romolo Faggiani ◽  
Colin J. L. Lock ◽  
Walter A. Szarek
Keyword(s):  
Hydrogen Bond ◽  
Intermolecular Hydrogen Bond ◽  
Direct Methods ◽  
Conformational Studies ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr ◽  
Twist Conformation ◽  
Cell Dimensions ◽  
Internal Hydrogen Bond

The products of a Pictet–Spengler condensation of tryptamine and of histamine with 2,5-anhydro-D-mannose have been studied by X-ray crystallography to establish their absolute configuration. 1(S)-(α-D-Arabinofuranosyl)-1,2,3,4-tetrahydro-β-carboline (1), C16H20N20O4, is monoclinic, P21 (No. 4), with cell dimensions a = 13.091(4), b = 5.365(1), c = 11.323(3) Å, β = 115.78(2)°, and Z = 2. 4-(α-D-Arabinofuranosyl)imidazo[4,5-c]-4,5,6,7-tetrahydropyridine (3), C11H17N3O4, is orthorhombic, P212121 (No. 19), with cell dimensions a = 8.118(2), b = 13.715(4), c = 10.963(3) Å, and Z = 4. The structures were determined by direct methods and refined to R1 = 0.0514, R2 = 0.0642 for 3210 reflections in the case of 1, and to R1 = 0.0312, R2 = 0.0335 for 1569 reflections in the case of 3. Bond lengths and angles within both molecules are normal and agree well with those observed in related structures. In 3 the base and sugar adopt a syn arrangement, which is maintained by an internal hydrogen bond between O(2′) and N(3). The sugar adopts a normal 2T3 twist conformation. The sugar has the opposite anti arrangement in the β-carboline 1 and the conformation of the sugar is unusual; it is close to an envelope conformation with O(4′) being the atom out of the plane. This conformation is caused by a strong intermolecular hydrogen bond from O(5′) in a symmetry-related molecule to O(4′). Both compounds are held together in the crystal by extensive hydrogen-bonding networks. The conformations of the compounds in solution have been investigated by 1H nmr spectroscopy, and the results obtained were compared with those obtained by X-ray crystallography for 1 and 3.

Hydrogen-bond networks between the C-terminus and Arg from the first α-helix stabilize photoprotein molecules

2014 ◽  
Vol 13 (3) ◽  
pp. 541 ◽  
Author(s):  
Elena V. Eremeeva ◽  
Ludmila P. Burakova ◽  
Vasilisa V. Krasitskaya ◽  
Alexander N. Kudryavtsev ◽  
Osamu Shimomura ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
C Terminus ◽  
Hydrogen Bond Networks ◽  
Α Helix
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