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3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
In the title compound, C(20)H(13)N(3)S, the partially saturated ring adopts a twisted half-boat conformation with the methylene C atom closest to the aminobenzene ring lying 0.690 (6) Å out of the plane defined by the five remaining atoms. The dihydrophenanthrene residue has a folded conformation...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343991/ https://www.ncbi.nlm.nih.gov/pubmed/22589900 http://dx.doi.org/10.1107/S1600536812010033 |
Sumario: | In the title compound, C(20)H(13)N(3)S, the partially saturated ring adopts a twisted half-boat conformation with the methylene C atom closest to the aminobenzene ring lying 0.690 (6) Å out of the plane defined by the five remaining atoms. The dihydrophenanthrene residue has a folded conformation [dihedral angle between the outer benzene rings = 26.27 (18)°]. The thiophen-2-yl ring forms a dihedral angle of 63.76 (19)° with the benzene ring to which it is attached. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)(12) loops. The dimers are linked into layers in the bc plane by weak C—H⋯π interactions. The thiophen-2-yl ring is disordered over two essentially coplanar but opposite orientations in a 0.918 (4):0.082 (4) ratio. |
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