Crystal structure of the 1:1 complex formed by 4-nitropyridine N-oxide and 4-nitrophenol |
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Authors: | R Moreno Fuquen R H de Almeida Santos J R Lechat |
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Institution: | (1) Instituto de Fisica e Quimica de São Carlos, Universidade de São Paulo, Caixa Postal 369, 13.560 São Carlos, SP, Brazil |
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Abstract: | The title complex (C6H5NO3·C5H4N2O3,M
r
=279.21) crystallizes in the orthorhombic space groupPna21 witha=18.862(2),b=5.876(1),c=10.803(2) Å,V=1197.3(6) Å3,D
c
=1.549 g cm–3 forZ=4,F(000)=576, (MoK )=0.71073 Å, =0.84 mm–1,T=297 K. The structure was solved by direct methods and refined by block matrix least-squares. FinalR=0.032, wR=0.037 for 904 observed reflections. The complex is held together by an intermediate hydrogen bond between the hydroxyl and the N-oxide group with an O O distance equal to 2.618(3) Å. The stacking of thea glide related complex molecules by translation in theb direction results in a herringbone structure with an overlap of the nitrophenol and 4-nitropyridine N-oxide rings and a mean interplanar distance of 3.4(1) Å between those rings.On leave from Universidad del Valle, Departamento de Quimica, Cali, Colombia. |
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Keywords: | |
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