2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate
نویسندگان
چکیده
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)°].
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).
متن کامل2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate
In the title compound, C(18)H(17)ClN(2)O(2)·C(3)H(6)O, the 4H-pyran ring is nearly planar [maximum deviation = -0.108 (1) Å] and the cyclo-hexene ring is puckered [puckering parameters Q(T) = 0.4596 (17) Å, θ = 55.9 (2)° and ϕ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7)°] and is almost coplanar with the mean plane of the cyclo-...
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-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile hemihydrate
The asymmetric unit of the title compound, C(18)H(17)ClN(2)O(2)·0.5H(2)O, contains two organic mol-ecules and one solvent water mol-ecule. In each organic mol-ecule, the cyclo-hexene ring adopts an envelope conformation with the C atom connecting the two methyl groups on the flap; the 4H-pyran ring is nearly planar [maximum deviation = 0.113 (3) Å in one mol-ecule and 0.089 (3) Å in the other m...
متن کامل2-Amino-4-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile ethanol monosolvate
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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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012