Self-assembly of metallosupramolecules directed by (N–H)2⋯SCN-M (M=Co, Ni), C–H⋯π and π–π synthons

Takahashi, Pedro Mitsuo; Melo, Lidervan P.; Frem, Regina Célia Galvão; Netto, Adelino V.G.; Mauro, Antônio Eduardo; Santos, Regina H. A.; Ferreira, Janaina G.

doi:10.1016/j.molstruc.2005.08.031

Cited by 35 publications

(7 citation statements)

References 40 publications

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“…The first was published by Takahashi et al in 2006 [6] and the second by Yan in 2007 [5]. Although the formulas are the same, the second publication did not reference the first.…”

Section: Discussionmentioning

confidence: 99%

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The role of lattice matching techniques in the characterization of polymorphic forms

Mighell

2011

J. Res. Natl. Inst. Stand. Technol.

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An inspection of the recent literature reveals that polymorphism is a frequently encountered phenomenon. The recognition of polymorphic forms plays a vital role in the materials sciences because such structures are characterized by different crystal packing and accordingly have different physical properties. In the pharmaceutical industry, recognition of polymorphic forms can be critical for, in certain cases, a polymorphic form of a drug may be an ineffective therapeutic agent due to its unfavorable physical properties. A check of the recent literature has revealed that in some cases new polymorphic forms are not recognized. In other instances, a supposedly new polymeric form is actually the result of an incorrect structure determination. Fortunately, lattice-matching techniques, which have proved invaluable in the identification and characterization of crystal structures, represent a powerful tool for analyzing polymorphic forms. These lattice-matching methods are based on either of two strategies: (a) the reduced cell strategy–the matching of reduced cells of the respective lattices or (b) the matrix strategy–the determination of a matrix or matrices relating the two lattices coupled with an analysis of the matrix elements. Herein, these techniques are applied to three typical cases–(a) the identification of a new polymorphic form, (b) the demonstration that a substance may not be a new polymorphic form due to missed symmetry, and (c) the evaluation of pseudo polymorphism because of a missed lattice. To identify new polymorphic forms and to prevent errors, it is recommended that these lattice matching techniques become an integral part of the editorial review process of crystallography journals.

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“…The first was published by Takahashi et al in 2006 [6] and the second by Yan in 2007 [5]. Although the formulas are the same, the second publication did not reference the first.…”

Section: Discussionmentioning

confidence: 99%

“…Many studies on packing and on polymorphic forms have been carried out using crystallographic structural data in the CSD [2–4]. Likewise a survey of recent publications in Acta Crystallographica shows that it is not uncommon for a new compound [5] to be a polymorphic form of an extant compound [6]. …”

Section: Introductionmentioning

confidence: 99%

The role of lattice matching techniques in the characterization of polymorphic forms

Mighell

2011

J. Res. Natl. Inst. Stand. Technol.

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“…Motivated by the aforementioned findings, and as a part of our continuing research program in the field of coordination and biological chemistry of azolyl complexes [13][14][15][16][17][18][19][20][21][22], we present herein the evaluation of the in vitro cytotoxic activity of the compounds [PdCl 2 (tdmPz)] (1), [PdBr 2 (tdmPz)] (2), [PdI 2 (tdmPz)] (3) and [Pd(SCN) 2 (tdmPz)] (4) (tdmPz ¼ 1-thiocarbamoyl-3,5-dimethylpyrazole) against murine mammary adenocarcinoma (LM3 and LMM3) and lung adenocarcinoma (LP07) as well towards normal murine peritoneal exudate cells (PEC). In addition, this paper also describes the synthesis of two new compounds [PdBr 2 (tdmPz)] (2) and [PdI 2 (tdmPz)] (3), which were characterized by means of elemental analysis, IR, UV-Vis, 1 H and 13 C{ 1 H} NMR spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

3,5-Dimethyl-1-thiocarbamoylpyrazole and its Pd(II) complexes: Synthesis, spectral studies and antitumor activity

Rocha

Barra

Netto

et al. 2010

European Journal of Medicinal Chemistry

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“…These compounds affect the DNA structure and cause a low electrophoretic mobility. 10 Previous investigations in our laboratory have been devoted to the study of the molecular self-assembly via hydrogen bonds of pyrazolyl metal complexes of general formulae [MX 2 (HPz) 4 ] (M = Co(II), Ni(II); X = N 3 , SCN; HPz = pyrazole), 11 [PdX 2 (HdmPz) 2 ] (X = N 3 , SCN; HdmPz = 3,5-dimethylpyrazole), 12 and [Cd(μ-X) 2 (HPz) 2 ] n (X = Cl, SCN). 13 Particularly, we are interested in acquiring more information about the building blocks [PdCl 2 L 2 ] (L = 4-substituted pyrazoles) since the reaction of these compounds with azide ion gives rise to unusual coordination polymers instead of hydrogen-bonded supramolecular arrays.…”

Section: Introductionmentioning

confidence: 99%

Experimental and DFT study on the compounds [PdCl2L2] (L =4-methylpyrazole, 4-iodopyrazole)

Barra¹,

Treu-Filho²,

Rocha

et al. 2015

ACSi

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Theoretical molecular structures of the complexes [PdCl 2 (HmPz) 2 ] (1) and [PdCl 2 (HIPz) 2 ] (2) (HmPz = 4-methylpyrazole; HIPz = 4-iodopyrazole) were studied using B3LYP/DFT method. The new complex 2 and the complex 1 were synthesized and characterized by elemental analysis and IR spectroscopy. The calculated bond distances and angles showed that both compounds exhibited a slightly distorted square planar coordination environment around the palladium center. The theoretical IR spectra of C s symmetry (electronic state 1A') of the complexes agree well with the experimental data.

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Self-assembly of metallosupramolecules directed by (N–H)2⋯SCN-M (M=Co, Ni), C–H⋯π and π–π synthons

Cited by 35 publications

References 40 publications

The role of lattice matching techniques in the characterization of polymorphic forms

The role of lattice matching techniques in the characterization of polymorphic forms

3,5-Dimethyl-1-thiocarbamoylpyrazole and its Pd(II) complexes: Synthesis, spectral studies and antitumor activity

Experimental and DFT study on the compounds [PdCl2L2] (L =4-methylpyrazole, 4-iodopyrazole)

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