Bis(benzyl­tri­methyl­ammonium) bis­[(4SR,12SR,18RS,26RS)-4,18,26-trihy­droxy-12-oxido-13,17-dioxahepta­cyclo­[14.10.0.03,14.04,12.06,11.018,26.019,24]hexa­cosa-1,3(14),6,8,10,15,19,21,23-nona­ene-5,25-dione] sesquihydrate: dimeric structure formation via [O—H—O]− negative charge-assisted hydrogen bonds (–CAHB) with benzyl­tri­methyl­ammonium counter-ions

Bengiat R.; Gil M.; Klein A.; Bogoslavsky B.; Cohen S.; Almog J.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Bis(benzyltrimethylammonium) bis[(4SR,12SR,18RS,26RS)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate: dimeric structure formation via [O—H—O]− negative charge-assisted hydrogen bonds (–CAHB) with benzyltrimethylammonium counter-ions

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Bis(benzyltrimethylammonium) bis[(4SR,12SR,18RS,26RS)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate: dimeric structure formation via [O—H—O]− negative charge-assisted hydrogen bonds (–CAHB) with benzyltrimethylammonium counter-ions

机译：双（苄基三甲基铵）双[（4SR，12SR，18RS，26RS）-4,18,26-三羟基-12-氧化物-13,17-二氧杂庚环[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa- 1,3（14），6,8,10,15,19,21,23-壬二烯-5,25-二酮]倍半水合物：通过[OH]-负电荷辅助氢键形成二聚结构（ –CAHB）与苄基三甲基铵抗衡离子

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The reaction between bis-ninhydrin resorcinol and benzyltrimethylammonium fluoride in ethanol has produced the title compound, 2C10H16N+·2C24H13O8−·1.5H2O, which contains a unique centrosymmetric supramolecular dimeric entity, where two deprotonated ligands are held together via two strong and short [O⋯O = 2.4395 (13) Å] [O—H—O]− bonds of the type negative charge-assisted hydrogen bonds (–CAHB). The central aromatic rings of the ligands create parallel-displaced π–π stacking at an interplanar distance of 3.381 (1) Å, which helps stabilize the dimer. In the crystal, two symmetry-related solvent water molecules with a site occupancy of 0.75 are attached to the carbonyl groups of the dimer by weaker O—H⋯O hydrogen bonds, forming chains along [101].

机译：双茚三酮间苯二酚与苄基三甲基氟化铵在乙醇中的反应生成标题化合物2C10H16N +·2C24H13O8··1.5H2O，其中包含独特的中心对称超分子二聚体，其中两个去质子化的配体通过两个强短的[O] O =负电荷辅助氢键（–CAHB）类型的[OH-OH]-键[O = 2.4395（13）Å]。配体的中心芳香环在3.381（1）Å的平面间距上产生平行位移的π-π堆积，这有助于稳定二聚体。在晶体中，两个对称相关的溶剂水分子，其位置占有率为0.75，通过较弱的O-H = O氢键连接至二聚体的羰基，沿[101]形成链。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第3期|共4页
作者
Bengiat R.; Gil M.; Klein A.; Bogoslavsky B.; Cohen S.; Almog J.;
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中图分类晶体学;
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CRYSTAL STRUCTUREVASARENENEGATIVE CHARGE-ASSISTED HYDROGEN BOND (-)CAHBSUPRAMOLECULAR DIMERNINHYDRIN;

机译：晶体结构钒负电荷辅助氢键[（-）CAHB]超分子二氢;

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1. (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate [J] . Almog J., Bogoslavski B., Cohen S., Acta Crystallographica Section E: Crystallographic Communications . 2014,第5期

机译：（±）-4,12,15,18,26-五羟基-13,17-二氧杂庚环[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa-1,3（14），6（11）， 7,9,15,19,21,23-壬二烯-5,25-二酮甲醇溶解
2. (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione monohydrate [J] . Mahmood K., Qureshi A.M., Shafiq Z., Acta Crystallographica Section E: Crystallographic Communications . 2011,第4期

机译：（±）-4,12,15,18,26-五羟基-13,17-二氧杂庚环[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa-1,3（14），6（11）， 7,9,15,19,21,23-壬烯-5,25-二酮一水合物
3. (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione monohydrate [J] . Mahmood K., Qureshi A.M., Shafiq Z., Acta Crystallographica Section E: Crystallographic Communications . 2011,第4期

机译：（±）-4,12,15,18,26-五羟基-13,17-二氧杂庚环[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa-1,3（14），6（11）， 7,9,15,19,21,23-壬烯-5,25-二酮一水合物
4. Bis(benzyltrimethylammonium) bis(4SR12SR18RS26RS)-41826-trihydroxy-12-oxido-1317-dioxaheptacyclo14.10.0.0314.0412.0611.01826.01924hexacosa-13(14)681015192123-nonaene-525-dione sesquihydrate: dimeric structure formation via O—H—O−negative charge-assisted hydrogen bonds (–CAHB) with benzyltrimethylammonium counter-ions [O] . Ravell Bengiat, Maayan Gil, Asne Klein, 2016

机译：双（苄基三甲基铵）双（4SR12SR18RS26RS）-41826-三羟基-12-氧化物-1317-二氧杂庚环14.10.0.0314.0412.0611.01826.01924 hexacosa- 13（14）681015192123-壬二烯-525-二酮倍半水合物：通过OH-O-形成二聚体结构负电荷辅助氢键（–CAHB）与苄基三甲基铵抗衡离子
5. Bis(benzyltrimethylammonium) bis[(4SR,12SR,18RS,26RS)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate: dimeric structure formation via [O—H—O]−negative charge-assisted hydrogen bonds (–CAHB) with benzyltrimethylammonium counter-ions [O] . Ravell Bengiat, Maayan Gil, Asne Klein, 2016

机译：双（苄基三甲基铵）双[（4sR，12sR，18Rs，26Rs）-4,18,26-三羟基-12-氧代-13,17-二氧杂庚酮[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa- 1,3（14），6,8,10,15,19,21,23-壬烯-5,25-二酮]倍半水合物：通过[O-H-O] - 负电荷辅助氢键形成二聚体结构（ -CaHB）与苄基三甲基铵抗衡离子

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