Three-Dimensional Self-Assembly Supramolecular Structure of Hydrogen Bonded Melaminium Citrate

Perpetuo, G.; Janczak, J.

Artykuł - szczegóły

Tytuł artykułu

Three-Dimensional Self-Assembly Supramolecular Structure of Hydrogen Bonded Melaminium Citrate

Autorzy

Perpetuo G. , Janczak J.

Identyfikatory

Warianty tytułu

Języki publikacji

Abstrakty

The melaminium dihydrogencitrate, (C3H7N6)(HOOC-CH2-C(OH)(COOH)-CH2-COO), crystallizes from water solution at room temperature in the P21/c space group of the monoclinic system with the lattice parameters of a = 5.531(1), b = 20.869(4), c = 11.282(2) A and = 99.96(3)_ and Z = 4. The crystals are built up from singly protonated at the one N-ring atom melaminium cations that interact in a near linear fashion through a pair of N-HN hydrogen bonds to form the centrosymmetric dimeric structure. The dihydrogencitrate(-) anions interact in the head-to-tail fashion via the terminal dissociated (COO-) and non-dissociated (COOH) carboxyl groups to form O-H _ O hydrogen bonded zigzag infinite chains. The hydroxyl group of dihydrogencitrate(-) ions is involved into O-HOhydrogen bonds that linked together the dihydrogencitrate(-) chains into two-dimensional network. The centrosymmetric dimers of melaminium moieties interact with the sheets of dihydrogencitrate(-) to form the three-dimensional hydrogen bonded network. The conformation of the dihydrogencitrate(-) ion in the crystal is compared with the conformation in the gas-phase obtained by the ab-initio molecular orbital calculation.

Słowa kluczowe

melaminium citrate crystal structure self-assembling system conformation hydrogen bond

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Polish Journal of Chemistry

Rocznik

2003

Tom

Vol. 77 / nr 10

Strony

1323--1337

Opis fizyczny

Bibliogr. 40 poz., rys.

Twórcy

autor

Perpetuo G.

Departamento de Física, Instituto de Ciencias Exatas e Biológicas, Universidade Federal de Ouro Preto,CEP 35.400-000 - Ouro Preto - MG, Brazil

autor

Janczak J.

Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O.Box 1410, 50-950 Wrocław, Poland

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Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BUJ1-0021-0100