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4-苄基硫烷基-1H-吡唑并-[3,4-d]嘧啶

4-Benzyl-sulfanyl-1H-pyrazolo-[3,4-d]pyrimidine.

作者信息

El Fal Mohammed, Ramli Youssef, Essassi El Mokhtar, Saadi Mohamed, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, BP 1014 Avenue Ibn Batouta, Rabat, Morocco.

Laboratoire National de Contrôle des Médicaments, D M P, Ministère de la Santé, Madinat Al Irnane, BP 6206, Rabat, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 16;69(Pt 11):o1650. doi: 10.1107/S160053681302789X.

DOI:10.1107/S160053681302789X
PMID:24454091
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3884315/
Abstract

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.

摘要

标题化合物C12H10N4S的吡唑并[3,4 - d]嘧啶环系基本呈平面状[与带有S原子的C原子的最大偏差 = 0.025 (1) Å],且几乎垂直于苯环[二面角 = 71.42 (6)°]。在晶体中,分子通过N - H⋯N氢键对相连,形成倒转二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ba8/3884315/553d6a9cf478/e-69-o1650-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ba8/3884315/d1326d7434b3/e-69-o1650-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ba8/3884315/553d6a9cf478/e-69-o1650-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ba8/3884315/d1326d7434b3/e-69-o1650-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ba8/3884315/553d6a9cf478/e-69-o1650-fig2.jpg

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