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4-(4-Chloro-phen-yl)-3-cyano-7-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromen-2-aminium methano-late.

ABSTRACT: In the cation of the title organic ion pair compound, C(23)H(20)ClN(2)O(3) (+)·CH(3)O(-), the cyclo-hexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14?(7) and 73.18?(9)°. In the crystal, centrosymmetrically related cations are linked into a dimer by pairs of N-H?N hydrogen bonds, generating an R(2) (2)(12) ring motif. The anion inter-acts with the dimer through an N-H?O hydrogen bond. ?-? inter-actions between pyran rings of adjacent dimers, with a centroid-centroid distance of 3.861?(2)?Å, are also observed.

SUBMITTER: Sun R

PROVIDER: S-EPMC3297885 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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4-(4-Chloro-phen-yl)-3-cyano-7-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromen-2-aminium methano-late.

Sun Rong R Wang Ke K Wu Dong-Dong DD Huang Wei W Ou Yang-Bing YB

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

In the cation of the title organic ion pair compound, C(23)H(20)ClN(2)O(3) (+)·CH(3)O(-), the cyclo-hexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14 (7) and 73.18 (9)°. In the crystal, centrosymmetrically related cations are linked into a dimer by pairs of N-H⋯N hydrogen bonds, generating an R(2) (2)(12) ring motif. The anion inter-acts with the dimer through an N-H⋯O hydrogen bond. π-π inter-actions between pyran rings of a ...[more]

PMID: 22412688

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