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A second monoclinic polymorph of 2-(diformylmethylidene)-3,3-dimethyl-2,3-dihydro-1H-indole
The crystal structure of the title compound, C(13)H(13)NO(2), is a polymorph of the structure first reported by Helliwell et al. [Acta Cryst. (2006), E62, o737-o738]. It is also monoclinic (space group P2(1)/c), but with completely different cell constants. The molecular conformations of these poly...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970324/ https://www.ncbi.nlm.nih.gov/pubmed/21578021 http://dx.doi.org/10.1107/S1600536809038495 |
Sumario: | The crystal structure of the title compound, C(13)H(13)NO(2), is a polymorph of the structure first reported by Helliwell et al. [Acta Cryst. (2006), E62, o737-o738]. It is also monoclinic (space group P2(1)/c), but with completely different cell constants. The molecular conformations of these polymorphs differ by a 180° rotation of one formyl group. The present molecule is planar [maximum deviation 0.089 (2) Å] with the exception of the two methyl groups which lie on either side of the plane. There are strong intra- and intermolecular N—H⋯O hydrogen bonds. The latter link pairs of molecules across crystallographic centers of symmetry. Two aldehyde O atoms are brought close together [2.896 (4) Å in this arrangement but are not hydrogen bonded. In the earlier polymorph, one formyl group is rotated by 180° to yield intermolecular hydrogen bonding and an infinite polymeric chain. The other formyl group is involved in the same intramolecular hydrogen bonding as has been found here. |
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