Structures of Two (<Emphasis Type="Italic">E</Emphasis>)-3-Substituted Cinnamoylbenzotriazole 1-Oxides |
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| Authors: | R Alan Howie Marcus V N de Souza Camilo H da Silva Lima James L Wardell Solange M S V Wardell |
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| Institution: | 1.Department of Chemistry,University of Aberdeen,Old Aberdeen,Scotland, UK;2.Funda??o Oswaldo Cruz,Instituto de Tecnologia em Fármacos—Farmanguinhos,Rio de Janeiro,Brazil;3.Centro de Desenvolvimento Tecnológico em Saúde (CDTS),Funda??o Oswaldo Cruz (FIOCRUZ),Rio de Janeiro,Brazil;4.CHEMSOL,Aberdeen,Scotland, UK |
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| Abstract: | Abstract The molecule of (E)-3-(3-MeOC6H4CH=CHCO)-benzotriazole 1-oxide, 2, has a very near planar structure, while the 2-nitrophenyl ring is rotated out of the plane of the remaining atoms in (E)-3-(2-O2NC6H4CH=CHCO)-benzotriazole 1-oxide, 1. The nitrogen oxide bond lengths in 1 and 2 are 1.258 (6) and 1.2683 (15) ?, respectively, and are in the region found for related compounds. There are no strong intermolecular
hydrogen-bonds in either compound, instead there are weak C–H···O intermolecular hydrogen-bonds and π···π stacking interactions
in 1, and C–H···O, C–H···π, and π···π stacking interactions in 2. Different three-dimensional arrays are generated in each case. Compound 1 crystallises in the orthorhombic space group Pna21, with a = 25.061 (2) ?, b = 3.6997 (2) ?, c = 14.2623 (12) ? and Z = 4. Compound 2 crystallises in the triclinic space group P-1, with a = 5.7297 (3) ?, b = 10.8440 (6) ?, c = 11.4965 (6) ?, α = 89.689 (3)°, β = 76.019 (3)°, γ = 75.047 (3)°, Z = 2. |
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