3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
In the title compound, C20H13N3S, 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 r...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812010033 |
| Summary: | In the title compound, C20H13N3S, 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 R22(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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| ISSN: | 1600-5368 |