The unprecedented interplay of antiferro- and ferromagnetic exchange interactions through intermolecular hydrogen bonds in mononuclear Cu(II) complexes

2021 ◽  
Author(s):  
Yuliua P. Tupolova ◽  
Sergey I. Levchenkov ◽  
Leonid D Popov ◽  
Vladimir E Lebedev ◽  
Vadim Minin ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Compounds ◽  
Condensation Product ◽  
Exchange Interactions ◽  
Molecular Structures ◽  
Intermolecular Hydrogen Bonds ◽  
Ferromagnetic Exchange

Copper(II) coordination compounds with the condensation product of the diacetylmonoxime and 2-hydrazino-4,6-dimethylpirimidine (H2L) with composition [Сu(Н2L)Br2]·Н2О (I) and [Сu(Н2L)Cl2] (II) were synthesized. Molecular structures of the compounds were established with...

scholarly journals Steric repulsion and supramolecular assemblies via a two-dimensional plate by C—H...O hydrogen bonds in two closely related 2-(benzofuran-2-yl)-2-oxoethyl benzoates

2017 ◽  
Vol 73 (8) ◽  
pp. 1227-1231
Author(s):  
Li Yee Then ◽  
C. S. Chidan Kumar ◽  
Huey Chong Kwong ◽  
Yip-Foo Win ◽  
Siau Hui Mah ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Molecular Structures ◽  
Steric Repulsion ◽  
Two Dimensional ◽  
Compound I ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Phenyl Rings ◽  
Compound Ii

2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate, C17H11ClO4 (I), and 2-(benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate, C18H14O5 (II), were synthesized under mild conditions. Their chemical and molecular structures were analyzed by spectroscopic and single-crystal X-ray diffraction studies, respectively. These compounds possess different ortho-substituted functional groups on their phenyl rings, thus experiencing extra steric repulsion force within their molecules as the substituent changes from 2-chloro (I) to 2-methoxy (II). The crystal packing of compound (I) depends on weak intermolecular hydrogen bonds and π–π interactions. Molecules are related by inversion into centrosymmetric dimers via C—H...O hydrogen bonds, and further strengthened by π–π interactions between furan rings. Conversely, molecules in compound (II) are linked into alternating dimeric chains propagating along the [101] direction, which develop into a two-dimensional plate through extensive intermolecular hydrogen bonds. These plates are further stabilized by π–π and C—H...π interactions.

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.

scholarly journals Organotin(IV) selenate derivatives – Crystal structure of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n

2021 ◽  
Vol 44 (1) ◽  
pp. 213-217
Author(s):  
Waly Diallo ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Intermolecular Hydrogen Bonds

Abstract Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.

scholarly journals Two enantiomeric perovskite ferroelectrics with a high Tc raised by inserting intermolecular hydrogen bonds

APL Materials ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 031102
Author(s):  
Hui Ye ◽  
Wang-Hua Hu ◽  
Wei-Jian Xu ◽  
Ying Zeng ◽  
Xiao-Xian Chen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bonds ◽  
High Tc

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.

scholarly journals 2,6-Bis(4-methoxybenzylidene)cyclohexanone

2006 ◽  
Vol 62 (5) ◽  
pp. o1910-o1912 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Photon Absorption ◽  
Intermolecular Hydrogen Bonds ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C22H22O3, demonstrates a two-photon absorption. Its metrical parameters are similar to those of related cyclohexanone derivatives. In the crystal structure, two sets of centrosymmetric dimers formed by weak C—H...O intermolecular hydrogen bonds combine to form molecular tapes along [101].

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