Bromination of 1,2,3,4-Tetrahydro-1,10-phenanthroline: Synthesis and Crystal Structure of 6-Bromo-1,2,3,4-tetrahydro-1,10-phenanthroline and Its Bromide Salt

Su H. P.; Yi H. P.; Xiaofeng J. S.; Song B. H.; Chen S. P.

首页> 外文期刊>Crystallography reports >Bromination of 1,2,3,4-Tetrahydro-1,10-phenanthroline: Synthesis and Crystal Structure of 6-Bromo-1,2,3,4-tetrahydro-1,10-phenanthroline and Its Bromide Salt

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Bromination of 1,2,3,4-Tetrahydro-1,10-phenanthroline: Synthesis and Crystal Structure of 6-Bromo-1,2,3,4-tetrahydro-1,10-phenanthroline and Its Bromide Salt

机译：1,2,3,4-四氢-1,10-菲林碱的溴化溴：6-溴-1,2,3,4-四氢-1,10-菲咯啉及其溴盐的合成和晶体结构

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The bromination reaction of 1,2,3,4-tetrahydro-1,10-phenanthroline (tphen) is investigated, which can afford a new heterocyclic compound, namely 6-bromo-1,2,3,4-tetrahydro-1,10-phenanthroline (1). The bromide salt of 1, i.e., 1 center dot (1H) center dot Br (2), can be isolated from the bromination system. The accurate structures of both compounds are confirmed and investigated by single-crystal X-ray diffraction. The result proves that the bromination reaction of tphen mainly affords its C6-substituted product. In compounds 1 and 2, the N-H center dot center dot center dot Br hydrogen bonds play an important role in intermolecular connection. Crystal data of 1: Monoclinic system, sp. gr. Pc, a = 4.6628(8)angstrom , b = 8.7980(15)angstrom , c = 13.1347(19)angstrom , beta = 101.342(5)angstrom, Z = 2, V = 528.31(15)angstrom (3). Crystal data of 2: Monoclinic system, sp. gr. P2(1)/n, a = 16.6171(16)angstrom , b = 7.8323(8)angstrom , c = 18.6972(18)angstrom , beta = 113.597(2)angstrom, Z = 4, V = 2230.0(4)angstrom(3).

机译：研究了1,2,3,4-4-四氢-1,10-菲林（Tphen）的溴化反应，其可以提供新的杂环化合物，即6-溴-1,2,3,4-四氢-1， 10-菲咯啉（1）。可以从溴化系统中分离1，即1中心点（1H）中心点Br（2）的溴化物盐。通过单晶X射线衍射确认和研究两种化合物的精确结构。结果证明，Tphen的溴化反应主要提供其C6取代产品。在化合物1和2中，N-H中心点中心点中心点BR氢键在分子间连接中起重要作用。 1：单斜晶系统，SP的水晶数据。 GR。 PC，A = 4.6628（8）埃，B = 8.7980（15）埃，C = 13.1347（19）埃，β= 101.342（5）埃，Z = 2，v = 528.31（15）埃埃斯特罗姆（3）。 2：单斜晶系统，SP的水晶数据。 GR。 P2（1）/ n，a = 16.6171（16）埃埃赫斯特罗姆，B = 7.8323（8）埃，C = 18.6972（18）埃，β= 113.597（2）埃，Z = 4，V = 2230.0（4）埃（3）。

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《Crystallography reports》 |2017年第7期|共5页
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Su H. P.; Yi H. P.; Xiaofeng J. S.; Song B. H.; Chen S. P.;
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Guilin Univ Technol Coll Mat Sci &

Engn Guilin 541004 Peoples R China;

Guilin Univ Technol Coll Mat Sci &

Engn Guilin 541004 Peoples R China;

Guilin Univ Technol Coll Mat Sci &

Engn Guilin 541004 Peoples R China;

Guilin Univ Technol Coll Mat Sci &

Engn Guilin 541004 Peoples R China;

Guilin Univ Technol Coll Mat Sci &

Engn Guilin 541004 Peoples R China;

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机译：1,2,3,4-四氢-1,10-菲林碱的溴化溴：6-溴-1,2,3,4-四氢-1,10-菲咯啉及其溴盐的合成和晶体结构
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Bromination of 1,2,3,4-Tetrahydro-1,10-phenanthroline: Synthesis and Crystal Structure of 6-Bromo-1,2,3,4-tetrahydro-1,10-phenanthroline and Its Bromide Salt

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