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2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.

ABSTRACT: In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo-hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038?(2)?Å] and forms a dihedral angle of 89.68?(10)° with the benzene ring. In the crystal, mol-ecules are linked by pairs of N-H?N hydrogen bonds, forming inversion dimers with R(2) (2)(12) ring motifs. These dimers are further linked by N-H?O hydrogen bonds into chains along [110]. Weak C-H?O hydrogen bonds are also present.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3344539 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.

Mohamed Shaaban K SK Akkurt Mehmet M Abdelhamid Antar A AA Singh Kuldip K Allahverdiyev M A MA

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo-hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with R(2) (2)(12) ring motifs. These dimers are further linked by N-H⋯O hydrogen bonds into chains along [110]. Weak C-H⋯O hydrogen bonds are also present. ...[more]

PMID: 22590301

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