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4-Nitrobenzoic acid–N-(pyrimidin-2-yl)aniline (1/1)
Four independent molecules comprise the asymmetric unit of the title co-crystal, C(10)H(9)N(3)·C(7)H(5)NO(4), two for each component. Small conformational differences are noted for the benzoic acid derivatives, notably in the twists of the carboxylic acid residue out of the plane of the benzene r...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247469/ https://www.ncbi.nlm.nih.gov/pubmed/22220087 http://dx.doi.org/10.1107/S1600536811044175 |
Sumario: | Four independent molecules comprise the asymmetric unit of the title co-crystal, C(10)H(9)N(3)·C(7)H(5)NO(4), two for each component. Small conformational differences are noted for the benzoic acid derivatives, notably in the twists of the carboxylic acid residue out of the plane of the benzene ring to which it is connected [torsion angles = 167.62 (17) and 174.54 (17)°]. In the aniline derivative, the major difference is observed in the dihedral angles formed between the CN(3) and phenyl least-squares planes [1.51 (5) and 6.25 (6)°]. Pairs of molecules associate via O—H⋯N and N—H⋯O hydrogen bonds leading to eight-membered {⋯HOCO⋯HNCN} hetero-synthons. The two-molecule aggregates are consolidated in the crystal structure by C—H⋯O(nitro) and π–π interactions [shortest centroid–centroid distance between benzene rings = 3.6242 (10) Å]. |
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