Synthesis, spectroscopic and crystal structure analysis of N-imidazolidin-2-ylidene-5-(thien-2-yl)1,3,4thiadiazole-2-amine

Begum  NS; Vasundhara  DE; Girija  CRKolavi  GDHegde  VSKhazi  IM

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Synthesis, spectroscopic and crystal structure analysis of N-imidazolidin-2-ylidene-5-(thien-2-yl)1,3,4thiadiazole-2-amine

机译：N-咪唑烷-2-亚基-5-（噻吩-2-基）1,3,4噻二唑-2-胺的合成、光谱和晶体结构分析

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The crystal structure of the title compound has been determined. The compound crystallizes in the monoclinic space group P2(1)/c with a = 5.9885(2) angstrom, b = 14.7345(4) angstrom, c = 12.3719(4) angstrom, beta= 96.655(5)degrees, V = 1084.31(8) angstrom(3), z = 4. An intramolecular N-H center dot center dot center dot N hydrogen bond forms a pseudo-six-membered ring with graph set S-1(1)(6). The crystal structure is stabilized by intermolecular interactions of the type N-H center dot center dot center dot N and C-H center dot center dot center dot N. The packing motifs in accordance with Etter's analysis are R-2(2)(8) corresponding to N-H center dot center dot center dot N dimer and that generated by the chain is C(7).

机译：标题化合物的晶体结构已经确定。该化合物在单斜空间群 P2（1）/c 中结晶，a = 5.9885（2）埃，b = 14.7345（4）埃，c = 12.3719（4）埃，beta = 96.655（5）度，V = 1084.31（8）埃（3），z = 4。分子内 NH 中心点中心点中心点 N 氢键形成一个伪六元环，图集为 S-1（1）（6）。晶体结构通过N-H型中心点中心点N和C-H型中心点中心点中心点N的分子间相互作用而稳定。根据 Etter 的分析，堆积基序为 R-2（2）（8），对应于 N-H 中心点、中心点、中心点 N 二聚体，链产生的堆积基序为 C（7）。

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来源
《Journal of chemical crystallography》 |2007年第8期|561-565|共5页
作者
Begum NS; Vasundhara DE; Girija CRKolavi GDHegde VSKhazi IM;
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作者单位

Bangalore Univ, Dept Studies Chem, Bangalore 560001, Karnataka, India;

Karnatak Univ, Dept Chem, Dharwad 580003, Karnataka, India;

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原文格式 PDF
正文语种英语
中图分类晶体学;
关键词
imidazolidin-1.3.4thiadiazole derivatives; crystal structure analysis; SUBSTITUTED 1; 3; 4-THIADIAZOLES; ANTICONVULSANT ACTIVITY; DERIVATIVES; THIADIAZOLES;

机译：咪唑烷-[1.3.4]噻二唑衍生物;晶体结构分析;替换 1;3;4-噻二唑;抗惊厥活性;衍生品;噻二唑类;

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Synthesis, spectroscopic and crystal structure analysis of N-imidazolidin-2-ylidene-5-(thien-2-yl)1,3,4thiadiazole-2-amine

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