Molecular structure, hydrogen bonding and spectroscopic properties of the complex of piperidine-4-carboxylic acid with chloroacetic acid

The crystal structure of cis-3-carboxylic acid-1,2,3,4-tetrahydroharmane dihydrate, C13H13N2O2•2H2O, a putative ligand of the benzodiazepine receptor is reported. The space group is P21/c with a = 14.850(4), b = 6.560(3), c = 14.746(4) Å and β = 117.411(8)°, Z = 4. The molecule crystallizes as a zwitterion with the unsaturated ring in a half-chair conformation. Hydrogen bonding to the water molecules included in the lattice determines the molecular packing arrangement.

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The Interaction of Sublimed Iminodiacetic Acid with a Cu{110} Surface

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.145-146.335 ◽

2009 ◽

Vol 145-146 ◽

pp. 335-338 ◽

Cited By ~ 1

Author(s):

D.W. Tee ◽

S.M. Francis ◽

N.V. Richardson ◽

Chris Reid ◽

Larry McGhee

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Carboxylic Acid ◽

Small Molecule ◽

Iminodiacetic Acid ◽

Two Dimensional ◽

Large Scope

Iminodiacetic acid (IMDA), NH(CH2CO2H)2, whose molecular structure is shown in figure 1, is a small molecule but has a very large scope for interacting with copper due to its two carboxylic acid and imine functionalities, which have been shown to bind strongly to copper [1,2,3]. The electronegative oxygen and nitrogen atoms present also make this a good candidate for hydrogen bonding, which often leads to very stable ordered two dimensional (2D) structures being formed across surfaces.

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Molecular structure, hydrogen bonding, basicity and spectroscopic properties of 3-hydroxypyridine betaine hydrochloride monohydrate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2006.07.044 ◽

2007 ◽

Vol 832 (1-3) ◽

pp. 63-72 ◽

Cited By ~ 2

Author(s):

P. Barczyński ◽

A. Komasa ◽

A. Katrusiak ◽

Z. Dega-Szafran ◽

M. Szafran

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Spectroscopic Properties ◽

Hydrochloride Monohydrate ◽

Betaine Hydrochloride

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Darstellung, Eigenschaften und Kristallstruktur von [Diaqua-1,6-bis(benzimidazol-2-yl)-2,5-dithiahexan-nickel(II)]dibromid-Dihydrat / Synthesis, Properties and Molecular Structure of [Diaqua-1,6-bis(benzimidazol-2-yl)-2,5-dithiahexane-nickel(I I)]dibromide Dihydrate

Zeitschrift für Naturforschung B ◽

10.1515/znb-1990-0908 ◽

1990 ◽

Vol 45 (9) ◽

pp. 1267-1272 ◽

Cited By ~ 7

Author(s):

A. Castiñeiras ◽

W. Hiller ◽

J. Strähle ◽

R. Carballo ◽

M. R. Bermejo ◽

...

Keyword(s):

Molecular Structure ◽

Crystal Structure ◽

Hydrogen Bonding ◽

Mass Spectra ◽

Spectroscopic Properties ◽

Water Molecules ◽

Trans Position ◽

Triclinic Space Group ◽

Synthesis Properties ◽

In Trans

The synthesis, crystal structure and some spectroscopic properties of [Ni(BBDH)(OH2)2]Br2.2 H2O, (BBDH = 1,6-bis(benzimidazol-2-yl)-2,5-dithiahexane), are reported. The compound is obtained from nickel bromide hydrate and BBDH in ethanol. It crystallizes in the triclinic space group P 1̄ with a = 1155.5(3), b = 1203.9(2), c = 1047.0(2) pm, α = 111.62(4), β = 114.25(2), γ = 86.74(3)°, and Z = 2. The structure consists of [Ni(BBDH)(OH2)2]2+ cations joined through hydrogen bonding to two Br- ions and two molecules water of crystallization. BBDH is bound to the Ni2+ ion as quadridentate ligand with two N atoms of the two imidazole moieties in axial positions and the two S atoms in equatorial arrangement. The sixfold coordination is completed by two water molecules in trans-position to the S atoms. Raman, IR and mass spectra are discussed.

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