首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1)

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Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1)

机译：作为液晶前体的氢键合共晶体的晶体结构：4-（正戊氧基）苯甲酸-（E）-12-双（吡啶-4-基）乙烯（2/1）和4-（正己氧基）苯甲酸-（E）-12-双（吡啶-4-基）乙烯（2/1）

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摘要

The crystal structures of title hydrogen-bonded co-crystals, 2C12H16O3·C12H10N2, (I), and 2C13H18O3·C12H10N2, (II), have been determined at 93 K. In (I), the asymmetric unit consists of one 4-(n-pentyloxy)benzoic acid molecule and one half-molecule of (E)-1,2-bis(pyridin-4-yl)ethene, which lies about an inversion centre. The asymmetric unit of (II) comprises two crystallographically independent 4-(n-hexyloxy)benzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethene molecule. In each crystal, the acid and base components are linked by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 units are linked via C—H⋯π and π–π interactions [centroid–centroid distances of 3.661 (2) and 3.909 (2) Å for (I), and 3.546 (2)–3.725 (4) Å for (II)], forming column structures. In (II), the base molecule is orientationally disordered over two sets of sites approximately around the N⋯N molecular axis, with an occupancy ratio of 0.647 (4):0.353 (4), and the average structure of the 2:1 unit adopts nearly pseudo-C 2 symmetry. Both compounds show liquid-crystal behaviour.

机译：标题氢键合晶体2C12H16O3·C12H10N2（I）和2C13H18O3·C12H10N2（II）的晶体结构已确定为93 K.在（I）中，不对称单元由一个4-（正戊氧基）苯甲酸分子和（E）-1,2-双（吡啶-4-基）乙烯的一个半分子，位于一个反转中心附近。（II）的不对称单元包括两个晶体学上独立的4-（正己氧基）苯甲酸分子和一个1,2-双（吡啶-4-基）乙烯分子。在每个晶体中，酸和碱成分通过OH = N氢键连接，形成酸和碱的线性氢键2：1单元。 2：1单元通过C–H⋯π和π–π相互作用链接[质心-质心距离（I）分别为3.661（2）和3.909（2）Å，以及3.546（2）–3.725（4）Å （II）]，形成柱结构。在（II）中，基本分子在大约围绕N⋯N分子轴的两组位点上取向混乱，占有率为0.647（4）：0.353（4），平均结构为2：1单元采用近似伪C 2对称性。两种化合物均显示液晶行为。

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期刊名称 Acta Crystallographica Section E: Crystallographic Communications
作者
Yohei Tabuchi; Kazuma Gotoh; Hiroyuki Ishida;
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作者单位

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年(卷),期 2016(72),Pt 12
年度 2016
页码 1771–1775
总页数 19
原文格式 PDF
正文语种
中图分类生化遗传学;生化药理学;
关键词
crystal structure (E)-12-bis(pyridin-4-yl)ethene 4-(n-pentyloxy)benzoic acid 4-(n-hexyloxy)benzoic acid hydrogen-bonded liquid crystal;

机译：晶体结构;（E）-12-双（吡啶-4-基）乙烯;4-（正戊氧基）苯甲酸;4-（正己氧基）苯甲酸氢键液晶;

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1. 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) [J] . Tabuchi Y., Gotoh K., Ishida H. Acta Crystallographica Section E: Crystallographic Communications . 2016,第12期

机译：作为液晶前体的氢键合共晶体的晶体结构：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）
2. Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid–(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid–(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid–(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid–(E)-1,2-di(pyridin-4-yl)ethene (2/1) [J] . Tabuchi Y., Gotoh K., Ishida H. Acta Crystallographica Section E: Crystallographic Communications . 2016,第11期

机译：（E）-1,2-二（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）-1,2-二（吡啶-4- yl）乙烯（2/1），4-乙氧基苯甲酸–（E）-1,2-二（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）-1,2-二（吡啶-4-基）乙烯（2/1）
3. Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid [J] . Ismail J., Kwong H.C., Mohd. Yusoff M., Acta Crystallographica Section E: Crystallographic Communications . 2014,第12期

机译：（E）-4- {2- [4- [4-（烯丙氧基）苯基]重氮基}苯甲酸的晶体结构
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. Absorption/Adsorption Properties of Peroxidase-Catalyzed Polyphenolic Precipitates Using 4-(Phenylazo) Benzoic Acid as a Model Sorbate. [D] . Beemer, Kayven. 2017

机译：使用4-（苯基偶氮）苯甲酸作为模型山梨酸酯的过氧化物酶催化的多酚沉淀物的吸收/吸附特性。
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. Liquid Crystalline Polymers Containing Mesogenic Units Based on Half-Disc and Rod-Like Moieties. 5. Side Chain Liquid Crystalline Polymethylsiloxanes Containing Hemiphasmidic Mesogens Based on 4-(3,4,5-Tris(alkan-1-yloxy)benzoyloxy)-4-(p-(propan-l- yloxy)benzoyloxy)biphenyl Groups. [R] . Percec, V., Heck, J., Ungar, G. 1991

机译：含有基于半圆盘和棒状部分的介晶单元的液晶聚合物。 5.含有半亚胺基中间体的侧链液晶聚甲基硅氧烷基于4-（3,4,5-三（链烷-1-基氧基）苯甲酰氧基）-4-（对 - （丙-1-基氧基）苯甲酰氧基）联苯基。

Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pent­yloxy)benzoic acid–(E)-12-bis­(pyridin-4-yl)ethene (2/1) and 4-(n-hex­yloxy)benzoic acid–(E)-12-bis­(pyridin-4-yl)ethene (2/1)

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Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1)