7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
نویسندگان
چکیده
In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluoro-phenyl rings, respectively. Inter-molecular N-H⋯F and C-H⋯F hydrogen bonding, as well as C-F⋯π inter-actions [F⋯centroid = 3.449 (3) Å; C-F⋯centroid = 91.87 (15)°], help to stabilize the crystal structure.
منابع مشابه
7-Benzyl-3-(4-fluorophenyl)-2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
In the title compound, C(26)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.066 Å), with a maximum deviation of 0.1243 (17) Å for the N atom adjacent to the carbonyl group. This ring system forms dihedral angles of 67.5 (1) and 88.9 (1) ° with the adjacent six-membered rings. Inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions help to sta...
متن کامل7-Benzyl-3-(4-chlorophenyl)-2-isobutylamino-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
In the title compound, C(26)H(27)ClN(4)OS, the thienopyrimidine fused-ring system is close to coplanar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0283 (17) Å for the N atom adjacent to the benzene ring. This ring system forms dihedral angles of 83.51 (3) and 88.20 (5)° with the adjacent benzyl and phenyl rings, respectively. In the crystal, N-H⋯Cl inter-actions and C-H⋯O hydro...
متن کامل7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
There are two independent mol-ecules in the asymmetric unit of the title compound, C(26)H(26)N(4)OS. In each mol-ecule, the thienopyrimidine fused-ring system is essentially planar with a maximum deviation of 0.0409 (18) for the N atom. In one mol-ecule, this ring system forms diherdral angles of 84.8 (1) and 67.6 (1)° with the adjacent phenyl and benzyl rings, respectively, while the correspon...
متن کامل2-(Dibutylamino)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-7-methyl-6,8-diphenylpyridine[3′,4′:2,3]thieno[5,4-d]pyrimidin-4(3H)-one
In the crystal structure of the title compound, C(36)H(39)FN(4)OS, the two fused rings of the thienopyrimidine system are coplanar. The 4-fluoro-phenyl ring is twisted with respect to the heterocyclic pyrimidinone ring by 67.21 (14)°. The piperidine ring shows a half-chair conformation. One of the n-butyl chains is disordered equally over two sites. The crystal packing is stabilized by C-H⋯O hy...
متن کاملCrystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate
In the title compound, C21H19N3O3S, the 5,6,7,8-tetra-hydro-pyridine ring adopts a half-chair conformation. The fused-thieno[2,3-d]pyrimidine ring system is essentially planar (r.m.s. deviation = 0.001 Å) and forms a dihedral angle of 2.66 (6)° with the attached phenyl ring. The three-dimensional crystal packing is stabilized by C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions.
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012