Crystal structure of 1-ethylpyrazolo-[ 3,4-d] pyrimidine-4(5H)-thione

被引:5
|
作者
El Fal, Mohammed [1 ]
Ramli, Youssef [2 ]
Essassi, El Mokhtar [1 ]
Saadi, Mohamed [3 ]
El Ammari, Lahcen [3 ]
机构
[1] Univ Mohammed V Agdal, Fac Sci, Lab Chim Organ Heterocycl URAC 21 Pole Competence, Rabat, Morocco
[2] Minist Sante, DMP, Lab Natl Controle Med, Rabat, Morocco
[3] Univ Mohammed V Agdal, Fac Sci, Lab Chim Solide Appl, Rabat, Morocco
关键词
crystal structure; pyrazolo[3,4-d] pyrimidine; biological activity; hydrogen bonding;
D O I
10.1107/S160053681401825X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C7H8N4S, the methyl C atom is displaced by 1.232 (7) angstrom from the mean plane of the pyrazolo[3,4-d] pyrimidine ring system (r.m.s. deviation = 0.007 angstrom). The N-N-C-C-m (m = methyl) torsion angle is -60.3 (6)degrees. In the crystal, molecules are linked by N-H center dot center dot center dot S hydrogen bonds, generating [010] chains, which are reinforced by C-H center dot center dot center dot N interactions. The chains are cross-linked by weak C-H center dot center dot center dot S hydrogen bonds, generating (001) sheets.
引用
收藏
页码:O1005 / +
页数:8
相关论文
共 50 条
  • [1] The crystal structure of 1,5-dibenzyl-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione
    El Fal, Mohammed
    Ramli, Youssef
    Essassi, El Mokhtar
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O95 - U406
  • [2] A SYNTHETIC ENTRY TO ISOXAZOLO[5,4-D]PYRIMIDINE-4(5H)THIONE AND ISOTHIAZOLO[4,3-D]ISOXAZOLE
    VICENTINI, CB
    VERONESE, AC
    POLI, T
    GUARNERI, M
    GIORI, P
    FERRETTI, V
    JOURNAL OF HETEROCYCLIC CHEMISTRY, 1990, 27 (05) : 1481 - 1484
  • [3] STRUCTURE OF THIOPURINOL, 5H-PYRAZOLO(3,4-D)PYRIMIDINE-4-THIONE
    GADRET, M
    GOURSOLL.M
    LEGER, JM
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE C, 1973, 276 (12): : 1007 - 1009
  • [4] CRYSTALLINE STRUCTURE OF 5H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE
    GADRET, M
    GOURSOLLE, M
    LEGER, JM
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1974, 30 (JUN15): : 1598 - 1602
  • [5] STRUCTURE OF THIOPURINOL (PYRAZOLO[3,4-D]PYRIMIDINE-4-THIOL OR 5H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE AND THEIR THIO DERIVATIVES
    THANG, KV
    OLIVIER, JL
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE C, 1969, 268 (20): : 1798 - &
  • [6] Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
    El Fal, Mohammed
    Ramli, Youssef
    Essassi, El Mokhtar
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1038 - +
  • [7] SYNTHESIS AND ANTIVIRAL ANTITUMOR ACTIVITIES OF CERTAIN PYRAZOLO[3,4-D]PYRIMIDINE-4(5H)-SELONE NUCLEOSIDES AND RELATED-COMPOUNDS
    UGARKAR, BG
    COTTAM, HB
    MCKERNAN, PA
    ROBINS, RK
    REVANKAR, GR
    JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (08) : 1026 - 1030
  • [8] SYNTHESIS OF SOME SUBSTITUTED ISOXAZOLO [5,4-d] PYRIMIDINE-4(5H)-ONES AND THEIR BIOLOGICAL EVALUATION
    Godhani, D. R.
    Kaila, B. A.
    Sanghani, A. M.
    Dobariya, P. B.
    INDIAN JOURNAL OF HETEROCYCLIC CHEMISTRY, 2012, 21 (03) : 225 - 228
  • [9] SIMPLE SYNTHESIS OF 3-ARYL-1,5,7-TRIMETHYLPYRAZOLO-[3,4-D] PYRIMIDINE-4,6(5H,7H) -DIONES
    SENGA, K
    SATO, J
    NISHIGAKI, S
    HETEROCYCLES, 1977, 6 (07) : 945 - 947
  • [10] STUDIES ON PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES .4. ON 1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND 1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE 5-OXIDE
    HIGASHINO, T
    IWAI, Y
    HAYASHI, E
    CHEMICAL & PHARMACEUTICAL BULLETIN, 1976, 24 (12) : 3120 - 3134