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3-(2-Amino-5-nitro­anilino)-5,5-dimethyl­cyclo­hex-2-en-1-one 0.25-hydrate

The asymmetric unit of the title compound, C(14)H(17)N(3)O(3)·0.25H(2)O, comprises two independent organic mol­ecules and a water mol­ecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent mol­ecules, the cyclo­hexene rings adopt envelope conformations b...

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Detalles Bibliográficos
Autores principales: Mehdi, Sayed Hasan, Hashim, Rokiah, Ghalib, Raza Murad, Goh, Jia Hao, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008006/
https://www.ncbi.nlm.nih.gov/pubmed/21588741
http://dx.doi.org/10.1107/S1600536810033933
Descripción
Sumario:The asymmetric unit of the title compound, C(14)H(17)N(3)O(3)·0.25H(2)O, comprises two independent organic mol­ecules and a water mol­ecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent mol­ecules, the cyclo­hexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds inter­connect adjacent mol­ecules into a three-dimensional network. Weak inter­molecular π–π aromatic stacking inter­actions [centroid–centroid distances = 3.4985 (9) and 3.6630 (9) Å] are also observed.