Crystal structures of two thienyl analogs of benzil – 1,2-dithien-2-ylethanedione (2,2′-thenil) and 1,2-dithien-3-ylethanedione (3,3′-thenil)
Crystal structures of two thienyl analogs of benzil – 1,2-dithien-2-ylethanedione (2,2′-thenil) and 1,2-dithien-3-ylethanedione (3,3′-thenil)
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苯偶酰的两种噻吩基类似物 – 1,2-二噻吩-2-基乙二酮 (2,2-thenil) 和 1,2-二噻吩-3-基乙二酮 (3,3-thenil) 的晶体结构
DOI：
10.1023/a:1023820908599
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发表时间：
2003
影响因子：
0.8
通讯作者：
K. Kantardjieff
中科院分区：
文献类型：
--
作者：
G. Crundwell;James O. Sullivan;Ryan Pelto;K. Kantardjieff
2，2‘-苯乙酰在P21/c中结晶，晶胞参数为a=7.2501(12)，b=4.7846(8)，c=13.9867(23)，β=96.897(3)0，V=96.897(14)ä3，Z=2。该分子位于反转中心，是平面的。β=101.83(3)0，V=966.9(3)ä3，Z=4，3，3‘-苯乙腈也在P21/c中结晶，晶胞参数为a=3.9904(8)？，b=21.310(4)？，c=11.618(2)？，V=966.9(3)？简要讨论了含有末端、未取代的2-和3-噻吩环的分子中的无序性。
Abstract2,2′-Thenil crystallizes in P21/c with a = 7.2501(12) Å, b = 4.7846(8) Å, c = 13.9867(23) Å, β = 96.897(3)○, V = 481.67(14) Å3, and Z = 2. The molecule resides on an inversion center and is planar. 3,3′-Thenil also crystallizes in P21/c with a = 3.9904(8) Å, b = 21.310(4) Å, c = 11.618(2) Å, β = 101.83(3)○, V = 966.9(3) Å3, and Z = 4. Refinement of 3,3′-thenil data indicated that 10.3(2)% of both thienyl rings are flip-disordered in this nonplanar molecule. A brief discussion of disorder in molecules containing terminal, unsubstituted 2- and 3-thienyl rings is presented.