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

2007 год, номер 1

Crystal structure of olanzapinium benzoate (1:1)

Sridhar B., Ravikumar K.
Laboratopy of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad-500007, India
Ключевые слова: ZYPREXA, atypical agents, piperazine, protonation, intermolecular hydrogen bond
Страницы: 194-198
Подраздел: КРАТКИЕ СООБЩЕНИЯ

Аннотация

Olanzapinium benzoate, 1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-piperazin-1-ium benzoate, (C17H21N4S)+(C7H5O2) (I), crystallizes in triclinic space group P-1 with unit cell dimensions a = 9.2957(6), b = 11.2416(7), c = 12.0003(8) Å ; a  = 64.585(1), b  = 87.568(1), g  = 83.248(1)° ; V = 1124.8(1) Å 3. The asymmetric part of the structure comprises a singly charged olanzapinium cation and a singly charged benzoate anion. The central 1,5-diazepine ring adopts the expected boat conformation, while the piperazine ring favors the chair conformation. The olanzapinium and benzoate ions are linked by intermolecular N—H…O hydrogen bonds forming infinite chains running along the c-axis of the crystal.