Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions

2010 ◽  
Vol 10 (8) ◽  
pp. 3568-3584 ◽  
Author(s):  
Padmini Kavuru ◽  
Dalia Aboarayes ◽  
Kapildev K. Arora ◽  
Heather D. Clarke ◽  
Alyssa Kennedy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Synthons

Hierarchy of Supramolecular Synthons:  Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor

2007 ◽  
Vol 4 (3) ◽  
pp. 401-416 ◽  
Author(s):  
Joanna A. Bis ◽  
Peddy Vishweshwar ◽  
David Weyna ◽  
Michael J. Zaworotko
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Synthons

scholarly journals Two-dimensional crystal engineering using halogen and hydrogen bonds: towards structural landscapes

2017 ◽  
Vol 8 (5) ◽  
pp. 3759-3769 ◽  
Author(s):  
Arijit Mukherjee ◽  
Joan Teyssandier ◽  
Gunther Hennrich ◽  
Steven De Feyter ◽  
Kunal S. Mali
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Engineering ◽  
Two Dimensional ◽  
Supramolecular Synthons ◽  
Solid Interface ◽  
Dimensional Crystal

We apply the concepts of supramolecular synthons and structural landscapes to 2D crystallization at the solution–solid interface.

Quantitative characterization of new supramolecular synthons involving fluorine atoms in the crystal structures of di- and tetrafluorinated benzamides

2017 ◽  
Vol 73 (5) ◽  
pp. 805-819 ◽  
Author(s):  
Pradip Kumar Mondal ◽  
Hare Ram Yadav ◽  
Angshuman Roy Choudhury ◽  
Deepak Chopra
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Topological Analysis ◽  
Quantitative Characterization ◽  
Supramolecular Synthons ◽  
Molecular Scaffold ◽  
Substituted Benzamides ◽  
Organic Fluorine

Strong hydrogen bonds play a significant role in crystal packing. In particular, the involvement of interactions involving fluorine in controlling the crystal packing requires appropriate attention, especially in the presence of other strong hydrogen bonds. In the present study, a detailed quantitative assessment has been performed of the nature, energetics and topological properties derived from the electron density in model compounds based on fluorinated benzamides (a total of 46 fluorine-substituted benzamides containing multiple fluorine atoms) in the solid state. The primary motivation in the design of such molecules is to enhance the acidity of the interacting H atoms in the presence of an increasing number of F atoms on the molecular scaffold, resulting in increased propensity towards the formation of intermolecular interactions involving organic fluorine. This exercise has resulted in the identification of new and frequently occurring supramolecular synthons involving F atoms in the packing of molecules in the solid state. The energetics associated with short and directional intermolecular Csp2—H...F—Csp2interactions with significantly high electrostatic contributions is noteworthy, and the topological analysis reveals the bonding character of these ubiquitous interactions in crystal packing in addition to the presence of Csp2—F...F—Csp2contacts.

Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety

2008 ◽  
Vol 8 (12) ◽  
pp. 4533-4545 ◽  
Author(s):  
Tanise R. Shattock ◽  
Kapildev K. Arora ◽  
Peddy Vishweshwar ◽  
Michael J. Zaworotko
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Supramolecular Synthons

Use of molecular overlap to predict intermolecular repulsion in N... H-O hydrogen bonds

1998 ◽  
Vol 95 (3) ◽  
pp. 525-537 ◽  
Author(s):  
I. NOBELI S. L. PRICE R. J. WHEATLEY
Keyword(s):  
Hydrogen Bonds

On symmetrical O-H-O hydrogen bonds

1964 ◽  
Vol 25 (5) ◽  
pp. 487-492 ◽  
Author(s):  
R.E. Rundle
Keyword(s):  
Hydrogen Bonds

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

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