Издательство СО РАН

Издательство СО РАН

Адрес Издательства СО РАН: Россия, 630090, а/я 187
Новосибирск, Морской пр., 2

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Яндекс.Метрика

Поиск по журналу

Журнал структурной химии

2010 год, номер 2

Crystal Structure of 2-(6-chloro-4-(p-tolylamino)pyrido[3,2-d]pyrimidin-1-ium-1-yl)acetate Oxonium Bromide

L. Shen, F.L. Zhang
Ключевые слова: pyridopyrimidine derivatives, quaternary ammonium salts, crystal structure, hydrogen bond
Страницы: 410-412

Аннотация

The crystals of 2-(6-chloro-4-(<i>p</i>-tolylamino)pyrido[3,2-d]pyrimidin-1-ium-1-yl)acetate (zwitterionic form) oxonium bromide, C<sub>16</sub>H<sub>13</sub>ClN<sub>4</sub>O<sub>2</sub>·Br<sup>-</sup>·H<sub>3</sub>O<sup>+</sup> (I) were prepared and studied by single-crystal X-ray diffraction method. The compound crystallizes in the triclinic space group <i>P</i>-1 with <i>a</i> = 8.3121(8), <i>b</i> = 9.3885(8), <i>c</i> = 13.2903(12) Å, α = 106.788(2), β = 95.204(3), γ = 110.871(2)°, <i>V</i> = 905.81(14) Å<sup>3</sup>, <i>Z</i> = 2; final <i>R</i> = 0.053, <i>wR</i>2 = 0.150. It is interesting that methylene C in the BrCH<sub>2</sub>COOH molecule binds to the N1 of the pyrimidine ring. In the crystal studied, two neighboring organic molecules are connected by hydrogen bonds through carboxylate oxygen, oxonium and bromide ions to form a dimer.