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2-[(2-Chloro-5-phenyl-3-pyridinyl)(hydroxy)­methyl]­acrylo­nitrile

✍ Scribed by Swamy, G. Y. S. K. ;Ravikumar, K. ;Narender, P. ;Jayathirtha Rao, V.

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
214 KB
Volume
61
Category
Article
ISSN
1600-5368

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2-[(2-Chloro-5-ethyl-3-pyridinyl)(hydroxy)­methyl]­acrylo­nitrile
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In the title compound, C 11 H 11 ClN 2 O, molecules are linked via O-HÁ Á ÁN hydrogen bonds, forming infinite chains running along the c axis with a graph-set motif of C(6). The structure is further stabilized by weakand C-HÁ Á Á interactions.

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In the title compound, C 16 H 13 ClN 2 O 2 , the dihedral angle between the pyridine and benzene rings is 40.1 (1) . There is a weak intramolecular C-HÁ Á ÁCl interaction. Molecules are linked via O-HÁ Á ÁN hydrogen bonds, forming chains of graph-set motif C(6) along the a axis.

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The title compound, C 22 H 21 ClN 4 O, is used as an intermediate for the synthesis of biologically active compounds. Geometric parameters are in the usual ranges. The packing is stabilized by O-HÁ Á ÁN hydrogen bonding.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.041 wR factor = 0.100 Data-to-parameter ratio = 19.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.