scholarly journals On the significance of weak hydrogen bonds in crystal packing: a large databank comparison of polymorphic structures

CrystEngComm ◽  
2018 ◽  
Vol 20 (39) ◽  
pp. 5976-5989 ◽  
Author(s):  
Leonardo Lo Presti
Keyword(s):  
Molecular Recognition ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Supramolecular Assemblies ◽  
Weak Hydrogen Bonds

Weak hydrogen bonds control initial molecular recognition modes, but the structure is determined by the interactions among larger supramolecular assemblies.

scholarly journals Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions

2015 ◽  
Vol 11 ◽  
pp. 860-868 ◽  
Author(s):  
Vladimir A Azov ◽  
Diana Janott ◽  
Dirk Schlüter ◽  
Matthias Zeller
Keyword(s):  
Hydrogen Bonds ◽  
Electrochemical Properties ◽  
Crystal Packing ◽  
Coupling Reaction ◽  
Coupling Reactions ◽  
Electronic Nature ◽  
Weak Hydrogen Bonds ◽  
Type Coupling ◽  
Variable Substitution

An Ullmann-type coupling reaction was employed for the preparation of several N-arylated monopyrrolotetrathiafulvalenes with variable substitution patterns. Spectroscopic and electrochemical properties of the coupling products strongly depend on the electronic nature of the aromatic substituents due to their direct conjugation with the tetrathiafulvalene chromophore. The crystal packing of the arylated monopyrrolotetrathiafulvalenes is primarily defined by networks of C–H···X weak hydrogen bonds and short S···S contacts involving the tetrathiafulvalene moieties.

scholarly journals Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Niels Ole Giltzau ◽  
Martin Köckerling
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Coulombic Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Type C

The title compound, (C15H23N2)2[MnBr4], comprises two N-adamantyl-N′-ethylimidazolium cations and one tetrahedral [MnBr4]2− anion. Next to Coulombic interactions, weak hydrogen bonds of the type C—H...Br consolidate the crystal packing, building up a three-dimensional network.

scholarly journals 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (7) ◽  
pp. o766-o767 ◽  
Author(s):  
Fatmah A. M. Al-Omary ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid

2015 ◽  
Vol 71 (4) ◽  
pp. 262-265 ◽  
Author(s):  
Subramanya Pingali ◽  
James P. Donahue ◽  
Florastina Payton-Stewart
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Racemic Mixture ◽  
Inversion Center ◽  
Intermolecular Hydrogen Bonds ◽  
Naturally Occurring ◽  
Pharmacologically Active

Tetrahydroberberine (systematic name: 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-benzo[g][1,3]benzodioxolo[5,6-a]quinolizine), C20H21NO4, a widely distributed naturally occurring alkaloid, has been crystallized as a racemic mixture about an inversion center. A bent conformation of the molecule is observed, with an angle of 24.72 (5)° between the arene rings at the two ends of the reduced quinolizinium core. The intermolecular hydrogen bonds that play an apparent role in crystal packing are 1,3-benzodioxole –CH2...OCH3and –OCH3...OCH3interactions between neighboring molecules.

Ethylammonium saccharinate

2006 ◽  
Vol 62 (5) ◽  
pp. o1800-o1801
Author(s):  
Zi-Liang Wang ◽  
Lin-Heng Wei ◽  
Ming-Xue Li ◽  
Jing-Ping Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Compound C

The asymmetric unit of the title compound, C2H8N+·C7H4NO3S−, contains a saccharinate anion and a protonated ethylamine cation. Intermolecular N—H...O hydrogen bonds link these ions into a two-dimensional framework structure. The crystal packing is further stabilized by weak intermolecular C—H...O hydrogen bonds

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