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A second monoclinic polymorph for 3-amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
The title compound, C(23)H(17)N(3)O, has been previously described in a monoclinic P2(1)/c polymorph with Z = 4 [Asiri, Al-Youbi, Faidallah, Ng & Tiekink (2011). Acta Cryst. E67, o2449]. In the new monoclinic P2(1)/n form, with Z = 8, there are two independent molecules, A and B, in the asymmet...
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/PMC3344100/ https://www.ncbi.nlm.nih.gov/pubmed/22606103 http://dx.doi.org/10.1107/S1600536812011798 |
Sumario: | The title compound, C(23)H(17)N(3)O, has been previously described in a monoclinic P2(1)/c polymorph with Z = 4 [Asiri, Al-Youbi, Faidallah, Ng & Tiekink (2011). Acta Cryst. E67, o2449]. In the new monoclinic P2(1)/n form, with Z = 8, there are two independent molecules, A and B, in the asymmetric unit. In both molecules, the cyclohexa-1,3-diene ring has a screw-boat conformation, whereas it is a distorted half-chair in the original polymorph. There is a fold in each molecule, as indicated by the dihedral angle between the benzene rings of the 1,2-dihydronaphthalene and aniline residues of 33.19 (10)° (molecule A) and 30.6 (10)° (molecule B). The methoxybenzene ring is twisted out of the plane of the aniline residue to which it is connected [dihedral angles = 49.22 (10) and 73.27 (10)°, in A and B respectively]. In the crystal, the two independent molecules self-associate via N—H⋯N hydrogen bonds, generating a 12-membered {⋯HNC(3)N}(2) synthon. These are connected into a supramolecular tape in the (-101) plane by N—H⋯O(methoxy) interactions. In the P2(1)/c polymorph, supramolecular layers are formed by N—H⋯N and N—H⋯O interactions. |
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