4-Benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
نویسندگان
چکیده
The pyrazolo-[3,4-d]pyrimidine ring system of the title compound, C12H10N4S, is essentially planar [maximum deviation = 0.025 (1) Å for the C atom bearing the S atom] and almost perpendicular to the phenyl ring [dihedral angle = 71.42 (6)°]. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers.
منابع مشابه
5-Anilino-3-benzylsulfanyl-6-(3-chloroanilino)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
In the title compound, C(30)H(23)ClN(6)OS, the benzyl, the 3-chloro-anilino, the phenyl and the anilino groups form dihedral angles of 85.95 (6), 29.63 (7), 28.55 (1) and 87.48 (6)°, respectively, with the pyrazolo-[3,4-d]pyrimidine unit [maximum deviation = 0.052 (2) Å]. An intra-molecular N-H⋯N hydrogen bond occurs. The crystal structure features N-H⋯O hydrogen bonds.
متن کاملCrystal structure of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
In the title compound, C7H8N4S, the non-H atoms of the pyrazolo-[3,4-d]pyrimidine ring system and the methyl-sulfanyl group lie on a crystallographic mirror plane. In the crystal, mol-ecules are linked via a number of π-π inter-actions [centroid-centroid distances vary from 3.452 (7) to 3.6062 (8) Å], forming a three-dimensional structure.
متن کاملCrystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
In the title compound, C8H8N4S, the pyrazolo-[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(8) graph-set motif.
متن کامل1-(2-Chloroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
In the title compound, C(7)H(7)ClN(4)O, the pyrazolo-pyrimidine ring is essentially planar, the r.m.s. deviation of the fitted atoms being 0.0071 Å. The crystal structure features strong N-H⋯O hydrogen bonds and further consolidated by weak C-H⋯O, C-H⋯N and C-H⋯Cl inter-actions.
متن کاملThe crystal structure of 1,5-dibenzyl-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione
In the title compound, C19H16N4S, the pyrazolo-[3,4-d]pyrimidine ring is close to being planar, with the greatest deviation from the mean plane being 0.023 (2) Å for the C atom bearing the thione S atom. The two phenyl rings are nearly perpendicular to the fused ring system [dihedral angles = 71.4 (2) and 78.1 (2)°], but are oriented in opposite directions; the dihedral angle between the phenyl...
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