Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds

Cortés Edwar; Abonía Rodrigo; Cobo Justo; Glidewell Christopher

首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds

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Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds

机译：1-（5-叔丁基-1H-吡唑-3-基）-2-（4-氯苯基）-1H-苯并咪唑-5-羧酸辛酯：由NH ... N，CH ... N和C-H ... O氢键

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In the title compound, C29H35ClN4O2, the bond lengths provide evidence for aromatic delocalization in the pyrazole ring but bond fixation in the fused imidazole ring, and the octyl chain is folded, rather than adopting an all-trans chain-extended conformation. A combination of N—H...N, C—H...N and C—H...O hydrogen bonds links the molecules into sheets, in which the hydrogen bonds occupy the central layer with the tert-butyl and octyl groups arranged on either side, such that the closest contacts between adjacent sheets involve only the octyl groups. Comparisons are made with the supramolecular assembly in some simpler analogues.

机译：在标题化合物C29H35ClN4O2中，键长提供了吡唑环中芳族离域的证据，但稠合的咪唑环中的键固定，并且辛基链被折叠，而不是采用全反式扩链构象。 N-H ... N，C-H ... N和C-H ... O的氢键结合将分子连接成片，其中氢键占据中心层，其中叔丁基和辛基基团布置在任一侧上，使得相邻片之间的最紧密接触仅涉及辛基。用一些更简单的类似物与超分子组装进行了比较。

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《Acta crystallographica. Section C, Structural chemistry.》 |2014年第6期|共5页
作者
Cortés Edwar; Abonía Rodrigo; Cobo Justo; Glidewell Christopher;
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正文语种 eng
中图分类晶体学;
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crystal structure; hydrogen bonding; supramolecular assembly; benzimidazole carboxylic acid ester; antitumour activity;

机译：晶体结构;氢键;超分子组装;苯并咪唑羧酸酯;抗肿瘤活性;

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1. Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds [J] . Cortés Edwar, Abonía Rodrigo, Cobo Justo, Acta crystallographica. Section C, Structural chemistry. . 2014,第6期

机译：1-（5-叔丁基-1H-吡唑-3-基）-2-（4-氯苯基）-1H-苯并咪唑-5-羧酸辛酯：由NH ... N，CH ... N和C-H ... O氢键
2. APA₂[Zn₃(HPO₄)₄(H₂O)₂], a Layered Zincophosphate Featuring Template-to-Framework N–H...O and “Synergic” Framework-to-Template O–H...N Hydrogen Bonds and C–H...O Interactions (APA = 2-Amino-1-phenyleneammonium, C₆H₉N₂+) [J] . Alexandra M. Z. Slawin, Joel C. Aughey, William T. A. Harrison Crystals . 2012,第3期

机译：APA _{2 [Zn _{3 （HPO _{4 ）_{4 （H _{2 O） _{2 ]，一种层状磷酸锌，具有模板到框架的N-H ... O和“协同”框架到模板的O-H ... N氢键和CH。 .O相互作用（APA = 2-氨基-1-亚苯基铵，C _{6 H _{9 N _{2 + ）}}}}}}}}}
3. 1,1′-Diethyl-4,4′-bipyridine-1,1′-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): multiple C—H...N hydrogen bonds form a complex sheet structure [J] . Zouaoui, Lehchili, Fouzia, Acta crystallographica. Section C, Structural chemistry. . 2014,第3期

机译：1,1'-二乙基-4,4'-联吡啶-1,1'-二双（1,1,3,3-四氰基-2-乙氧基丙烯）：多个C ... N个氢键形成配合物片状结构
4. 2-{2-2-(4-Methoxybenzoyl)ethylamino-4-nitroanilino}ethyl acetate: complex sheets built from five independent hydrogen bonds [O] . Braulio Insuasty, Yupanqui Caldfas, Justo Cobo, -1

机译：2- {2- 2-（2-（4-甲氧基苯甲酰基）乙基氨基 -4-硝基苯胺基}乙酸乙酯：由五个独立的氢键构成的复合片
5. Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole- 5-carboxylate : complex sheets built from N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds [O] . Cortés, E., Abonía, R., Cobo, J., 2014

机译：1-（5-叔丁基-1H-吡唑-3-基）-2-（4-氯苯基）-1H-苯并咪唑-5-羧酸辛酯：由NH⋯N，CH⋯N和CH⋯O构成的复合片氢键
6. Material Safety Data Sheet. Bis(1-((3,5-disubstituted- 2-hydroxyphenyl) azo)-3-(mono-substituted) -2-naphthalenolato (2-)) chromate (1-), Ammonium, Sodium and Hydrogen. [R] . 2005

机译：材料安全数据表。双（1 - （（3,5-二取代-2-羟基苯基）偶氮）-3-（单取代）-2-萘酚（2-））铬酸盐（1-），铵，钠和氢。

Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds

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