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2-(4-Methyl-2-phenyl-piperazin-4-ium-1-yl)pyridine-3-carboxyl-ate dihydrate.

ABSTRACT: The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza-pine, which is the active agent in a new class of anti-depressants. It crystallized as a zwitterion with two mol-ecules of water in the asymmetric unit. The crystal structure is dominated by a system of hydrogen bonds involving the positively charged N atom and both water mol-ecules.

SUBMITTER: Li AJ

PROVIDER: S-EPMC2961778 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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2-(4-Methyl-2-phenyl-piperazin-4-ium-1-yl)pyridine-3-carboxyl-ate dihydrate.

Li Ai-Jun AJ Zhang Xiao-Hua XH Sun Wen-Qian WQ Zhou Xue-Qin XQ Liu Dong-Zhi DZ

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza-pine, which is the active agent in a new class of anti-depressants. It crystallized as a zwitterion with two mol-ecules of water in the asymmetric unit. The crystal structure is dominated by a system of hydrogen bonds involving the positively charged N atom and both water mol-ecules. ...[more]

PMID: 21202871

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