Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide

Chumakov YM; Starikova ZA; Antosyak BY; Tzapkov VI; Samus NM; Gulya AP

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Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide

机译：苯甲酸4-硝基苄基肼的晶体结构

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The crystal structure of benzoic acid 4-nitrobenzylidenhydrazide has been determined. Crystal data: crystal system - monoclinic, a = 7.101(9) angstrom, b = 25.48(3) angstrom, c = 7.730(11) angstrom; beta = 112.43(9)degrees, space group P2(1), Z = 4, R = 0.038. The compound under investigation has a non-planar structure in general, and the substituents at azomethine N-C bond are in E-position. Root-mean-square planes of the six-memebered heterocycles make angles of 29.9 degrees and 37.7 degrees to fairly planar hydrazine fragment. In crystalline state the compound forms layers, the molecules within the layers being linked by C-H center dot center dot center dot O bonds. Neighboring layers are connected by hydrogen bonds between carbonyl oxygen atoms and amide hydrogens.

机译：已经确定了苯甲酸4-硝基苄基肼的晶体结构。晶体数据：晶体系统-单斜晶系，a = 7.101（9）埃，b = 25.48（3）埃，c = 7.730（11）埃; beta = 112.43（9）度，空间群P2（1）/ n，Z = 4，R = 0.038。所研究的化合物通常具有非平面结构，并且在甲亚胺N-C键上的取代基位于E-位。六元杂环的均方根平面与相当平坦的肼片段的夹角为29.9度和37.7度。在结晶状态下，化合物形成层，层内的分子通过C-H中心点中心点中心点O键连接。相邻的层通过羰基氧原子和酰胺氢之间的氢键连接。

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《Journal of structural chemistry》 |2005年第2期|共5页
作者
Chumakov YM; Starikova ZA; Antosyak BY; Tzapkov VI; Samus NM; Gulya AP;
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正文语种 eng
中图分类结构化学;
关键词
benzoylhydrazone; C-H...O bonds; E-position of substituents; biological activity; BENZOYLHYDRAZONE MONOHYDRATE;

机译：苯甲酰;C-H ... O键;取代基的E位;生物活性;苯甲酰肼;

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专利

1. Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide [J] . Chumakov YM, Starikova ZA, Antosyak BY, Journal of structural chemistry . 2005,第2期

机译：苯甲酸4-硝基苄基肼的晶体结构
2. Crystal structures of three co-crystals of 4,4′-bipyridyl with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–4,4′-bipyridyl (2/1), 4-n-propoxybenzoic acid–4,4′-bipyridyl (2/1) and 4-n-butoxybenzoic acid–4,4′-bipyridyl (2/1) [J] . Tabuchi Y., Gotoh K., Ishida H. Acta Crystallographica Section E: Crystallographic Communications . 2015,第11期

机译：4,4'-联吡啶与4-烷氧基苯甲酸的三个共晶体的晶体结构：4-乙氧基苯甲酸–4,4'-联吡啶（2/1），4-正丙氧基苯甲酸–4,4'-联吡啶（2/1）和4-正丁氧基苯甲酸–4,4'-联吡啶（2/1）
3. Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) [J] . Tabuchi Y., Gotoh K., Ishida H. Acta Crystallographica Section E: Crystallographic Communications . 2015,第11期

机译：1,2-双（吡啶-4-基）乙烷与4-烷氧基苯甲酸的三个共晶体的晶体结构：4-乙氧基苯甲酸–1,2-双（吡啶-4-基）乙烷（2/1），4-正丙氧基苯甲酸–1,2-双（吡啶-4-基）乙烷（2/1）和4-正丁氧基苯甲酸–1,2-双（吡啶-4-基）乙烷（2 / 1）
4. Liquid crystalline nano-segregated structures in hydrogen-bonded complexes of fluoroalkyl substituted benzoic acids [C] . Etsushi Nishikawa, Jun Yamamoto, Hiroshi Yokoyama Materials Research Society Symposium . 2002

机译：氟代烷基取代苯甲酸氢键复合物中的液晶纳米偏析结构
5. Copper-Mediated Oxidative Decarboxylative Coupling Reactions: Trifluoromethylation of Heteroarene C-H bonds with Trifluoroacetic Acid as the CF3 Source and C-H Arylation of Benzoxazoles with Benzoic Acids [D] . Ju, Lin 2015

机译：铜介导的氧化脱羧偶联反应：以三氟乙酸为CF3源的杂芳烃C-H键的三氟甲基化和苯并恶唑与苯甲酸的C-H芳基化
6. Crystal structures of four co-crystals of (E)-12-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid–(E)-12-di(pyridin-4-yl)ethene (2/1) 4-ethoxybenzoic acid–(E)-12-di(pyridin-4-yl)ethene (2/1) 4-n-propoxybenzoic acid–(E)-12-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid–(E)-12-di(pyridin-4-yl)ethene (2/1) [O] . Yohei Tabuchi, Kazuma Gotoh, Hiroyuki Ishida 2016

机译：（E）-12-二（吡啶-4-基）乙烯与4-烷氧基苯甲酸的四个共晶体的晶体结构：4-甲氧基苯甲酸-（E）-12-二（吡啶-4- yl）乙烯（2/1）4-乙氧基苯甲酸–（E）-12-二（吡啶-4-基）乙烯（2/1）4-正丙氧基苯甲酸–（E）-1 2-二（吡啶-4-基）乙烯（2/1）和4-正丁氧基苯甲酸-（E）-12-二（吡啶-4-基）乙烯（2/1）
7. Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid–(E)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid–(E)-1,2-bis(pyridin-4-yl)ethene (2/1) [O] . Yohei Tabuchi, Kazuma Gotoh, Hiroyuki Ishida 2016

机译：作为液晶前体的氢键共晶的晶体结构：4-（正戊氧基）苯甲酸 - （E）-1,2-双（吡啶-4-基）乙烯（2/1）和4-（正己氧基苯甲酸 - （E）-1,2-双（吡啶-4-基）乙烯（2/1）
8. THE PREPARATION OF m- AND p- HYDROXY-BENZOIC ACIDS (C14 CARBOXYL) BY RADIOLYSIS OF AN AQUEOUS SOLUTION OF BENZOIC ACID (C14 CARBOXYL) [R] . A. DAVISON 1968

机译：苯甲酸（C14羧基）水溶液的辐解制备间 - 和对 - 羟基苯甲酸（C14羧基）

Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide

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