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1.
IUCrdata ; 6(Pt 4): x210379, 2021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36339106

RESUMO

The title compound, C6H2N3O7 -·C10H13Cl2N2 +, crystallizes with one 1-(2,3-di-chloro-phen-yl)piperazine (DP) cation and one picrate (PA) anion in the asymmetric unit. In the crystal structure, the DP cation and PA anion are inter-connected via several N-H⋯O and C-H⋯O hydrogen bonds. The DP cation and PA anion are further connected through C-Cl⋯π [3.8201 (4), 3.7785 (4) Å] and N-O⋯π [3.7814 (4) Å] inter-actions. The DP cations are further inter-connected via a weak inter-molecular Cl⋯Cl [3.2613 (4) Å] halogen-halogen inter-action. The combination of these supra-molecular inter-actions leads to a herringbone like supra-molecular architecture.

2.
IUCrdata ; 5(Pt 9): x201239, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-36338912

RESUMO

In the title 2:1 co-crystal, 2C4H5ClN4·C4H6O4 the complete succinic acid mol-ecule is generated by a crystallographic centre of symmetry. In the crystal, pairwise O-H⋯N and N-H⋯O hydrogen bonds link the pyrimidine and succinic acid mol-ecules, generating R 2 2(8) loops. The pyrimidine mol-ecules are linked by pairwise N-H⋯N hydrogen bonds, again generating R 2 2(8) loops. Collectively, the hydrogen bonds link the components into corrugated (100) sheets. The Hirshfeld surface is presented.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1256, 2011 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754546

RESUMO

In the title compound, C(22)H(24)N(4)O(2)S(2), the two thio-urea segments of the side-arm groups are inclined at a dihedral angle of 73.09 (9)°. The central cyclo-hexane bridge adopts a chair conformation. The mol-ecule is stabilized by N-H⋯O intra-molecular hydrogen bonds forming S(6) rings, and N-H⋯O and N-H⋯S inter-molecular hydrogen bonds forming infinite chains developing parallel to the b axis.

4.
Spectrochim Acta A Mol Biomol Spectrosc ; 59(6): 1349-58, 2003 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-12659904

RESUMO

The spectral studies and structure of a ternary complex of copper(II) with 2-hydroxyacetophenone 3-hexamethyliminylthiosemicarbazonate (L(2-)) and 1,10-phenanthroline (phen) are reported. The thiosemicarbazone binds to the metal as a dianionic ONS-donor (L(2-)) ligand, and forms a complex of the stoichiometry [CuLphen]. The copper(II) complex was characterized by IR and UV/Vis spectroscopies, as well as by solid state room-temperature magnetic susceptibility. Spin Hamiltonian and bonding parameters of the compound are calculated from the EPR spectra. Computer simulation of EPR spectrum in DMF at 77 K aided the calculation of magnetic and bonding parameters of the compound. The structure of the compound is solved by single crystal X-ray diffraction. The geometry around copper is distorted square pyramidal.


Assuntos
Acetofenonas/química , Compostos Organometálicos/química , Fenantrolinas/química , Cobre/química , Espectroscopia de Ressonância de Spin Eletrônica , Ligação de Hidrogênio , Íons , Ligantes , Espectroscopia de Ressonância Magnética , Modelos Químicos , Modelos Moleculares , Espectrofotometria/métodos , Espectrofotometria Infravermelho , Temperatura , Tiossemicarbazonas/química , Raios Ultravioleta , Difração de Raios X
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