Crystal structures of two (3-hydroxy-4-nitrobenzoato) complexes of magnesium(II): Ionic entities stabilized by stacking interactions and extensive hydrogen bonding

Polyhedron ◽  
2008 ◽  
Vol 27 (9-10) ◽  
pp. 2097-2104 ◽  
Author(s):  
Georges Morgant ◽  
Jean d’Angelo ◽  
Didier Desmaële ◽  
Emma Dichi ◽  
Mehrez Sghaier ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Stacking Interactions

Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)–H tautomeric form ofN6-benzoyladenine:N6-benzoyladenine–3-hydroxypyridinium-2-carboxylate (1/1) andN6-benzoyladenine–DL-tartaric acid (1/1)

2015 ◽  
Vol 71 (11) ◽  
pp. 985-990 ◽  
Author(s):  
Ammasai Karthikeyan ◽  
Robert Swinton Darious ◽  
Packianathan Thomas Muthiah ◽  
Franc Perdih
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Tartaric Acid ◽  
Dihedral Angle ◽  
Tautomeric Form ◽  
Stacking Interactions ◽  
Graph Set ◽  
Purine Ring ◽  
Ring Motif

Two novel cocrystals of the N(7)—H tautomeric form ofN6-benzoyladenine (BA), namelyN6-benzoyladenine–3-hydroxypyridinium-2-carboxylate (3HPA) (1/1), C12H9N5O·C6H5NO3, (I), andN6-benzoyladenine–DL-tartaric acid (TA) (1/1), C12H9N5O·C4H6O6, (II), are reported. In both cocrystals, theN6-benzoyladenine molecule exists as the N(7)—H tautomer, and this tautomeric form is stabilized by intramolecular N—H...O hydrogen bonding between the benzoyl C=O group and the N(7)—H hydrogen on the Hoogsteen site of the purine ring, forming anS(7) motif. The dihedral angle between the adenine and phenyl planes is 0.94 (8)° in (I) and 9.77 (8)° in (II). In (I), the Watson–Crick face of BA (N6—H and N1; purine numbering) interacts with the carboxylate and phenol groups of 3HPA through N—H...O and O—H...N hydrogen bonds, generating a ring-motif heterosynthon [graph setR22(6)]. However, in (II), the Hoogsteen face of BA (benzoyl O atom and N7; purine numbering) interacts with TA (hydroxy and carbonyl O atoms) through N—H...O and O—H...O hydrogen bonds, generating a different heterosynthon [graph setR22(4)]. Both crystal structures are further stabilized by π–π stacking interactions.

Crystal structures of dicarboxy-2,2′-bipyridyl complexes: the role of hydrogen bonding and stacking interactions

2004 ◽  
pp. 492-497 ◽  
Author(s):  
Craig J. Matthews ◽  
Mark R. J. Elsegood ◽  
Gérald Bernardinelli ◽  
William Clegg ◽  
Alan F. Williams
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Stacking Interactions

Hydrogen-bonded chains in threecis-dichloridoplatinum(II) complexes bearing piperidine and amine ligands

2014 ◽  
Vol 70 (3) ◽  
pp. 297-301 ◽  
Author(s):  
Chi Nguyen Thi Thanh ◽  
Ngan Nguyen Bich ◽  
Luc Van Meervelt
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Amine Ligands ◽  
Hydrogen Bonded

The crystal structures ofcis-dichlorido(ethylamine-κN)(piperidine-κN)platinum(II), [PtCl2(C2H7N)(C5H11N)], (I),cis-dichlorido(3-methoxyaniline-κN)(piperidine-κN)platinum(II), [PtCl2(C5H11N)(C7H9NO)], (II), andcis-dichlorido(piperidine-κN)(quinoline-κN)platinum(II), [PtCl2(C5H11N)(C9H7N)], (III), have been determined at 100 K in order to verify the influence of the nonpiperidine ligand on the geometry and crystal packing. The crystal packing is characterized by N—H...Cl hydrogen bonding, resulting in the formation of chains of molecules connected in a head-to-tail fashion. Hydrogen-bonding interactions play a major role in the packing of (I), where the chains further aggregate into planes, but less so in the case of (II) and (III), where π–π stacking interactions are of greater importance.

scholarly journals The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

2020 ◽  
Vol 7 (21) ◽  
pp. 4197-4221 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Jiří Sejkora
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bonding ◽  
Diffraction Pattern ◽  
Crystal Structures ◽  
First Principles ◽  
X Ray Diffraction ◽  
Carbonate Minerals ◽  
X Ray ◽  
Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine

2007 ◽  
Vol 9 (4) ◽  
pp. 497-509 ◽  
Author(s):  
Lesley R. Rutledge ◽  
Craig A. Wheaton ◽  
Stacey D. Wetmore
Keyword(s):  
Hydrogen Bonding ◽  
Stacking Interactions

Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]

2001 ◽  
pp. 197-201 ◽  
Author(s):  
Jean-Cyrille Hierso ◽  
Elisabeth Bouwman ◽  
Dianne D. Ellis ◽  
Mónica Pérez Cabero ◽  
Jan Reedijk ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures
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