✦ LIBER ✦

Ethyl [3-(2-pyridyl)pyrazol-1-yl]acetate monohydrate

✍ Scribed by Coelho, Ana C. ;Gonçalves, Isabel S. ;Almeida Paz, Filipe A.

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 304 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807007015

No coin nor oath required. For personal study only.

✦ Synopsis

The asymmetric unit of the title compound, C~12~H~13~N~3~O~2~·H~2~O, comprises two crystallographically independent organic molecules and two water molecules. There is an O—H...N hydrogen bond between each water molecule and the 2-substituted pyridyl ring of an organic molecule. The water molecules are further engaged in disordered O—H...O hydrogen bonds with each other, leading to the formation of a one-dimensional zigzag chain running parallel to the b axis.

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Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.004 A Ê R factor = 0.025 wR factor = 0.056 Data-to-parameter ratio = 18.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

Ethyl [3-(2-pyrid­yl)pyrazol-1-yl]acetate monohydrate

✦ Synopsis

Ethyl [3-(2-pyridyl)pyrazol-1-yl]acetate monohydrate