(2S,3R)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5H)-one
نویسندگان
چکیده
The title compound, C14H12BrNO4, has two chiral C atoms. The C atom next to the O atom in the di-hydro-furan ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclo-hex-2-enone and di-hydro-furan rings both adopt envelope conformations, with the flap atoms (middle CH2 in cyclo-hex-2-enone and NO2-substituted C in di-hydro-furan) lying 0.612 (3) and 0.295 (2) Å, respectively, from the mean plane of the remaining atoms. The dihedral angle between the mean planes of the furan and benzene rings is 80.0 (3)°. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensional network.
منابع مشابه
(2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one
The title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclo-hex-2-enone and di-hydro-furan rings both adopt envelope conformations, with the quaternary C atom and the nitro-substituted C atoms as the respective flap. The flap atoms lie 0.607 (3) and -0.253 (2) Å, respectively, from the mean plane of the remaining ring atoms on opposite side...
متن کامل2-[(2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]propanedinitrile
The π system of the title compound, known as julolidinemalononitrile, C(16)H(15)N(3), is nearly planar, with a 3.5 (1)° twist between the aromatic and dicyano-vinyl groups. The bond lengths indicate significant zwitterionic character in the ground state.
متن کامل3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5H)-one
In the title compound, C(16)H(12)BrN(3)O(4), the furan-2(5H)-one ring forms a dihedral angle of 33.19 (9)° with the 4-bromo-benzene unit and is nearly perpendicular to the 4-nitro-benzene segment, making a dihedral angle of 89.93 (10)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, generating an infinite chain along [010]. The chains are linked into a three-dimensional network by C-...
متن کامل2-(4-Bromophenyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
In the title compound, C23H22BrNO, the cyclo-heptane ring adopts a chair conformation. The pyridine ring makes dihedral angles of 58.63 (15) and 8.27 (16)° with the benzene rings. The dihedral angle between the benzene rings is 56.68 (17)°. The crystal packing features C-Br⋯π inter-actions [Br⋯centroid distances= 3.813 (2) and 3.839 (2) Å; C-Br⋯centroid = 126.25 (10) and 138.31 (10)°, respectiv...
متن کاملCrystal structures of 2-benzylamino-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile and 2-benzylamino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
In the title compounds, C24H22BrN3, (I), and C24H22ClN3, (II), the 2-amino-pyridine ring is fused with a cyclo-heptane ring, which adopts a half-chair conformation. The planes of the phenyl and benzene rings are inclined to that of the central pyridine ring [r.m.s. deviations = 0.0083 (1) and 0.0093 (1) Å for (I) and (II), respectively] by 62.47 (17) and 72.51 (14)°, respectively, in (I), and b...
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عنوان ژورنال:
دوره 69 شماره
صفحات -
تاریخ انتشار 2013