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Crystal structure of 2-hydroxy-N-methylbenzamide and 2-hydroxy-N-methylthiobenzamide

Published/Copyright: July 28, 2010
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Abstract

2-Hydroxy-N-methyl-benzamide, C8H9NO2; monoclinic; P21C22; a = 4.041(6) Å, b = 17.02(2) Å, c = 5.462(6) Å, β = 92.7(2)°; Z = 2. 2-Hydroxy-N-methylthiobenzamide, C8H9NOS; Pbca-D2h15; a = 8.359(1) Å, b = 10.891(2) Å, c = 17.917(3) Å; Z = 8. The structures were determined by direct methods from single crystal X-ray data; refinements gave Rw = 0.041 and 0.038. The hydrogen bonds of the hydroxyl groups are in both compounds intramoleculare: O–H…O = 2.510(2) Å and O–H…S = 2.936(2) Å; angles at these bridging H atoms are: 161(2)° and 150(3)°. On the contrary the hydrogen bonds from the N atoms (donor atoms) are intermoleculare. The acceptor atoms are in both cases O atoms of hydroxyl groups of neighbouring molecules: N–H…O = 2.976(3) Å and 3.100(3) Å, angles at the H atoms are: 153(5)° and 154(3)°.

Published Online: 2010-07-28
Published in Print: 1992

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  2. The crystal structures of two solid phases of 4-cyano-4′-ethyl-biphenyl
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  17. Crystal structure of 3-(9-anthryl)-1H-2,3-dihydrobenz[de]anthracene, C31H22
  18. Crystal structure of 1-acetoxy-1,3-di-anthrylpropane, C33H26O2
  19. Crystal structure of aqua-2,2′-bipyridine-N,N′-dioxide-bis(2-furancarboxylato)-copper(II), (H2O)(C4H4OCO2)2Cu(ONC5H4C5H4NO)
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