6-氨基-1,3-二甲基-5-[(E)-2-(甲基硫烷基)亚苄基氨基]-嘧啶-2,4(1H,3H)-二酮-1,3,7,9-四甲基-嘧啶并[5,4-g]蝶啶-2,4,6,8-四酮(1/1)
6-Amino-1,3-dimethyl-5-[(E)-2-(methyl-sulfan-yl)benzyl-idene-amino]-pyrimidine-2,4(1H,3H)-dione-1,3,7,9-tetra-methyl-pyrimido[5,4-g]pteridine-2,4,6,8-tetrone (1/1).
作者信息
Booysen Irvin N, Ismail Muhammed B, Akerman Matthew P
机构信息
University of KwaZulu-Natal, School of Chemistry and Physics, Private Bag X01, Scottsville 3209, Pietermaritzburg, South Africa.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2334-5. doi: 10.1107/S1600536812029716. Epub 2012 Jul 4.
In the title co-crystal, C(12)H(12)N(6)O(4)·C(14)H(16)N(4)O(2)S, both mol-ecules are essentially planar [maximum deviations = 0.129 (1) and 0.097 (1) Å, respectively]. The tricyclic and Schiff base mol-ecules are alternately stacked along the a axis and are linked by π-π inter-actions with centroid-centroid distances of 3.5170 (16) and 3.6576 (17) Å. An intra-molecular C-H⋯O hydrogen bond and a C-H⋯S contact occur in the Schiff base molecule. In the crystal, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds lead to the formation of a three-dimensional network.
在标题共晶体C(12)H(12)N(6)O(4)·C(14)H(16)N(4)O(2)S中，两个分子基本呈平面状[最大偏差分别为0.129 (1) 和0.097 (1) Å]。三环分子和席夫碱分子沿a轴交替堆积，并通过π-π相互作用相连，质心间距为3.5170 (16) 和3.6576 (17) Å。席夫碱分子中存在分子内C-H⋯O氢键和C-H⋯S接触。在晶体中，N-H⋯O、N-H⋯N和C-H⋯O氢键导致形成三维网络。
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