Quantifying Hydrogen-Bond Populations in Dimethyl Sulfoxide/Water Mixtures

2017 ◽  
Vol 129 (38) ◽  
pp. 11533-11537 ◽  
Author(s):  
Kwang-Im Oh ◽  
Kavya Rajesh ◽  
John F. Stanton ◽  
Carlos R. Baiz
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide

Novel pseudopolymorph of the active metabolite of perindopril

2012 ◽  
Vol 68 (9) ◽  
pp. o341-o343 ◽  
Author(s):  
Joanna Bojarska ◽  
Waldemar Maniukiewicz ◽  
Lesław Sieroń ◽  
Andrzej Fruziński ◽  
Piotr Kopczacki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Active Metabolite ◽  
Alkyl Chain ◽  
Solvent Molecule ◽  
Carboxylate Group ◽  
X Ray Diffraction ◽  
Structural Units ◽  
X Ray ◽  
Zwitterionic Form

The dimethyl sulfoxide hemisolvate of perindoprilat [systematic name: (1S)-2-((S)-{1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate], C17H28N2O5·0.5C2H6OS, an active metabolite of perindopril, has been synthesized, structurally characterized by single-crystal X-ray diffraction and compared with its ethanol disolvate analogue [Pascardet al.(1991).J. Med. Chem.34, 663–669]. Both compounds crystallize in the orthorhombicP212121space group in the same zwitterionic form, with a protonated alanine N atom and an anionic carboxylate group at then-alkyl chain. The three structural units present in the unit cell (two zwitterions and the solvent molecule) are held together by a rich system of O—H...O, N—H...O and C—H...O hydrogen-bond contacts.

Quantifying Hydrogen-Bond Populations in Dimethyl Sulfoxide/Water Mixtures

2017 ◽  
Vol 56 (38) ◽  
pp. 11375-11379 ◽  
Author(s):  
Kwang-Im Oh ◽  
Kavya Rajesh ◽  
John F. Stanton ◽  
Carlos R. Baiz
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide

N—H...S and N—H...O hydrogen bonds: `pure' and `mixed'R22(8) patterns in the crystal structures of eight 2-thiouracil derivatives

2014 ◽  
Vol 70 (2) ◽  
pp. 241-249 ◽  
Author(s):  
Wilhelm Maximilian Hützler ◽  
Ernst Egert
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Crystal Structures ◽  
Thiouracil Derivatives ◽  
Bonding Patterns

The preferred hydrogen-bonding patterns in the crystal structures of 5-propyl-2-thiouracil, C7H10N2OS, (I), 5-methoxy-2-thiouracil, C5H6N2O2S, (II), 5-methoxy-2-thiouracil–N,N-dimethylacetamide (1/1), C5H6N2O2S·C4H9NO, (IIa), 5,6-dimethyl-2-thiouracil, C6H8N2OS, (III), 5,6-dimethyl-2-thiouracil–1-methylpyrrolidin-2-one (1/1), C6H8N2OS·C5H9NO, (IIIa), 5,6-dimethyl-2-thiouracil–N,N-dimethylformamide (2/1), 2C6H8N2OS·C3H7NO, (IIIb), 5,6-dimethyl-2-thiouracil–N,N-dimethylacetamide (2/1), 2C6H8N2OS·C4H9NO, (IIIc), and 5,6-dimethyl-2-thiouracil–dimethyl sulfoxide (2/1), 2C6H8N2OS·C2H6OS, (IIId), were analysed. All eight structures containR22(8) patterns. In (II), (IIa), (III) and (IIIa), they are formed by two N—H...S hydrogen bonds, and in (I) by alternating pairs of N—H...S and N—H...O hydrogen bonds. In contrast, the structures of (IIIb), (IIIc) and (IIId) contain `mixed'R22(8) patterns with one N—H...S and one N—H...O hydrogen bond, as well asR22(8) motifs with two N—H...O hydrogen bonds.

scholarly journals Crystal structure of 6-amino-4-(3-bromo-4-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile dimethyl sulfoxide monosolvate

2015 ◽  
Vol 71 (7) ◽  
pp. o453-o454 ◽  
Author(s):  
Sammer Yousuf ◽  
Huma Bano ◽  
Munira Taj Muhammad ◽  
Khalid Mohammed Khan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Pyrazole Ring ◽  
Ring System ◽  
The Mean

In the pyrazole molecule of the title solvate, C15H13BrN4O2·C2H6OS, the dihedral angle between the benzene ring and the mean plane of the dihydropyrano[2,3-c]pyrazole ring system [r.m.s deviation = 0.031 (2) Å] is 86.71 (14)°. In the crystal, the pyrazole molecules are linked by N—H...N hydrogen bonds, forming a layer parallel to (10-1). The pyrazole and dimethyl sulfoxide molecules are connected by an N—H...O hydrogen bond.

scholarly journals Dibromido(dimethyl sulfoxide-κO)(6-methyl-2,2′-bipyridine-κ2N,N′)cadmium

2012 ◽  
Vol 68 (8) ◽  
pp. m1124-m1124 ◽  
Author(s):  
Sadif A. Shirvan ◽  
Sara Haydari Dezfuli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Bipyridine Ligand ◽  
Distorted Trigonal Bipyramidal

In the title compound, [CdBr2(C11H10N2)(C2H6OS)], the CdIIatom is five-coordinated in a distorted trigonal–bipyramidal geometry by two N atoms from a 6-methyl-2,2′-bipyridine ligand, one O atom from a dimethyl sulfoxide ligand and two Br atoms. An intramolecular C—H...O hydrogen bond occurs. The crystal structure is stabilized by C—H...Br hydrogen bonds and π–π contacts between the pyridine rings [centroid–centroid distances = 3.582 (5) and 3.582 (5) Å].

Comparative Study of Halogen- and Hydrogen-Bond Interactions between Benzene Derivatives and Dimethyl Sulfoxide

ChemPhysChem ◽  
2015 ◽  
Vol 16 (12) ◽  
pp. 2594-2601 ◽  
Author(s):  
Yan-Zhen Zheng ◽  
Geng Deng ◽  
Yu Zhou ◽  
Hai-Yuan Sun ◽  
Zhi-Wu Yu
Keyword(s):  
Hydrogen Bond ◽  
Comparative Study ◽  
Dimethyl Sulfoxide ◽  
Benzene Derivatives ◽  
Hydrogen Bond Interactions

scholarly journals Crystal structure of bis{μ-4-methyl-N′-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}bis[(dimethyl sulfoxide-κO)copper(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m316-m317
Author(s):  
Diego Pereira Siqueira ◽  
Maria Carolina Bulhosa Siqueira ◽  
Vanessa Carratu Gervini ◽  
Leandro Bresolin ◽  
Adriano Bof de Oliveira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimeric Complex ◽  
Coordination Environment ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, [Cu2(C11H13N3O3S)2(C2H6OS)2], the CuIIcation isN,N′,O-chelated by a deprotonated hydroxyimino-tosylhydrazone ligand and coordinated by a dimethyl sulfoxide molecule. One O atom from the adjacent hydroxyimino-tosylhydrazone ligand bridges the CuIIcation, forming the centrosymmetric dimeric complex. The cation is in an overall distorted N2O3square-pyramidal coordination environment. The methylbenzene ring is twisted with respect to the hydrazine fragment, with a dihedral angle of 89.54 (9)° between the planes. An intramolecular C—H...O hydrogen bond occurs. In the crystal, molecules are linked by weak C—H...O and C—H...S interactions. Weak π–π stacking is also observed between parallel benzene rings of adjacent molecules, the centroid–centroid distance being 3.9592 (17) Å.

scholarly journals Crystal structure of 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one: a potential chemotherapeutic drug

2016 ◽  
Vol 72 (6) ◽  
pp. 868-871 ◽  
Author(s):  
José A. Carmona-Negrón ◽  
Mariola M. Flores-Rivera ◽  
Zaibeth Díaz-Reyes ◽  
Curtis E. Moore ◽  
Arnold L. Rheigold ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Bond Length ◽  
Dimethyl Sulfoxide ◽  
Torsion Angle ◽  
Chemotherapeutic Drug ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carbonyl Bond

A new ferrocene complex, 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one dimethyl sulfoxide monosolvate, [Fe(C5H5)(C24H27O2)]·C2H6OS, has been synthesized and structurally characterized by single-crystal X-ray diffraction techniques. The molecule crystallizes in the space groupP21with one molecule of dimethyl sulfoxide. A hydrogen bond links the phenol group and the dimethyl sulfoxide O atom, with an O...O distance of 2.655 (5) Å. The ferrocene group is positioned in the β face of the estrone moiety, with an O—C—C—C torsion angle of 44.1 (5)°, and the carbonyl bond length of the hormone moiety is 1.216 (5) Å, typical of a C=O double bond. The average Fe—C bond length of the substituted Cp ring [Fe—C(Cp*)] is similar to that of the unsubstituted one [Fe—C(Cp)],i.e.2.048 (3)versus2.040 (12) Å. The structure of the complex is compared with those of estrone and ethoxymethylestrone.

scholarly journals cis-Dichlorido(dimethyl sulfoxide-κS)(N,N,N′,N′-tetramethylguanidine-κN′′)platinum(II)

2013 ◽  
Vol 69 (2) ◽  
pp. m117-m118 ◽  
Author(s):  
Ivan I. Eliseev ◽  
Nadezhda A. Bokach ◽  
Matti Haukka ◽  
Irina A. Golenya
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Planar Geometry ◽  
Imino Group ◽  
Bond Lengths ◽  
Square Planar ◽  
Chloride Ligands ◽  
Neighboring Molecule ◽  
Sulfoxide Group

In the title compound,cis-[PtCl2(C5H13N3)(C2H6OS)], the four-coordinate PtIIatom is bonded to one N atom of theN,N,N′,N′-tetramethylguanidine ligand, one dimethyl sulfoxide S atom and two chloride ligands, forming acis-square-planar geometry. The bond lengths and angles of the N—Pt—Cl functionality are typical for imine dichloridoplatinum(II) complexes. The H atom of the imino group is oriented towards the O atom of the sulfoxide group of a neighboring molecule and forms an N—H...O hydrogen bond.

Dimethyl sulfoxide phase carbon-hydrogen bond dissociation energies for phenalene and benzanthrene

1990 ◽  
Vol 55 (23) ◽  
pp. 5805-5806 ◽  
Author(s):  
Mark J. Bausch ◽  
R. Gostowski ◽  
G. Jirka ◽  
D. Selmarten ◽  
G. Winter
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies
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