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3-(2-Chlorophenyl)-N-methylisoxazole-5-carboxamide

✍ Scribed by Chang, Xin-Hong


Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
619 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis


In the title molecule, C 11 H 9 ClN 2 O 2 , the isoxazole and benzene rings make a dihedral angle of 36.80 (2) . Intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds link the molecules into zigzag chains running in the [101] direction. The crystal packing exhibits weakstacking interactions [short distances of 3.675 (2) and 3.801 (3) A ˚between the centroids of the benzene and isoxazole rings (at 1 2 À x, Ày, À 1 2 + z) and (at 1 2 À x, Ày, 1 2 + z), respectively], which form stacks of molecules extending along the c axis.


📜 SIMILAR VOLUMES


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The title compound, C 18 H 20 ClN 3 O 2 , is a potent new herbicide. X-ray analysis reveals that the benzene ring is twisted away from the isoxazole ring by 67.7 (1) . The crystal packing is stabilized by intermolecular N-HÁ Á ÁN and C-HÁ Á ÁO hydrogen bonds.

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Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.127 Data-to-parameter ratio = 14.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 294 K Mean '(C±C) = 0.003 A Ê R factor = 0.037 wR factor = 0.105 Data-to-parameter ratio = 18.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.