2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
نویسندگان
چکیده
The 4H-pyran ring of the title compound, C(17)H(16)N(2)O(2), is nearly planar [maximum deviation = 0.077 (2) Å] and the cyclo-hexene ring adopts a flattened chair conformation [puckering parameters: Q(T) = 0.435 (2) Å, θ = 122.0 (3)° and ϕ = 53.5 (3)°]. The 4H-pyran ring is almost perpendicular to the benzene ring [dihedral angle = 87.23 (8)°] and is almost coplanar with the mean plane of the cyclo-hexene ring [dihedral angle = 8.01 (8)°]. In the crystal, inversion-related mol-ecules are linked by pairs of inter-molecular N-H⋯N hydrogen bonds, forming inversion dimers with R(2) (2)(12) ring motifs. These dimers are further connected by N-H⋯O and C-H⋯N hydrogen bonds, forming a layer structure extending parallel to (0-12). Mol-ecules within the layers inter-act with each other via C-H⋯π inter-actions.
منابع مشابه
2-Amino-7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
In the title mol-ecule, C(19)H(20)N(2)O(2), the cyclo-hexene ring adopts a sofa conformation, while the pyran ring adopts a flattened boat conformation. In the crystal, mol-ecules are linked by N-H⋯N and N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (010).
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In the title mol-ecule, C(18)H(19)N(3)O(2), the fused cyclo-hexenone and pyran rings adopt sofa conformations. Inter-molecular N-H⋯N and N-H⋯O hydrogen bonds link mol-ecules into corrugated layers parallel to the bc plane.
متن کامل2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The title compound, C(17)H(16)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the fused cyclo-hexenone ring adopts a sofa conformation. In the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into corrugated layers parallel to the (101) plane.
متن کامل2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
In the title mol-ecule, C(16)H(14)N(2)O(2), the fused cyclo-hexene and pyran rings adopt an envelope and a flattened boat conformation, respectively. In the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into corrugated sheets parallel to the bc plane.
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In the title compound, C(16)H(13)ClN(2)O(2)·C(2)H(6)O, the fused cyclo-hexene and pyran rings adopt envelope and flattened boat conformations, respectively. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the chromene and ethanol solvent mol-ecules into infinite chains along the c axis, and N-H⋯N hydrogen bonds link these chains into a three-dimensional framework. Weak C-H⋯π inter-actions a...
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