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2-Amino-4-(4-meth-oxy-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate.

ABSTRACT: In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, mol-ecules are linked into inversion dimers with an R(2) (2)(12) motif by pairs of N-H?N hydrogen bonds. These dimers are further connected into chains running along the a axis by N-H?O hydrogen bonds. C-H?N and C-H?? inter-actions also feature in the packing. The cyclohexene ring adopts nearly an envelope conformation [puckering parameters are Q(T) = 0.456?(2)?Å, ? = 54.6?(3)° and ? = 225.2?(3)°].

SUBMITTER: Mohamed SK 

PROVIDER: S-EPMC3394003 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-Amino-4-(4-meth-oxy-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate.

Mohamed Shaaban K SK   Akkurt Mehmet M   Tahir Muhammad N MN   Abdelhamid Antar A AA   Allahverdiyev M A MA  

Acta crystallographica. Section E, Structure reports online 20120627 Pt 7

In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, mol-ecules are linked into inversion dimers with an R(2) (2)(12) motif by pairs of N-H⋯N hydrogen bonds. These dimers are further connected into chains running along the a axis by N-H⋯O hydrogen bonds. C-H⋯N and C-H⋯π inter-actions also feature in the packing. The cyclohexene ring adopts nearly an envelope conformation [puckering parameters are Q(T) = 0.456 (2) Å, θ = 54.6 (3)° and ϕ = 225.2 (3)°]. ...[more]

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