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5-Anilino-3-benzyl-sulfanyl-6-(3-chloro-anilino)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one.

ABSTRACT: 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.

SUBMITTER: Wang HQ

PROVIDER: S-EPMC3470247 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

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5-Anilino-3-benzyl-sulfanyl-6-(3-chloro-anilino)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one.

Wang Hong-Qing HQ He Fang-Fang FF Wang Xiao-Feng XF Zhou Wei-Ping WP Liu Zhao-Jie ZJ

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

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. ...[more]

PMID: 23125691

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