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首页> 外文期刊>Crystal growth & design >Cocrystallization of Bent Dipyridyl Type Compounds with Aromatic Dicarboxylic Acids:Effect of the Geometries of Building Blocks on Hydrogen-Bonding Supramolecular Patterns
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Cocrystallization of Bent Dipyridyl Type Compounds with Aromatic Dicarboxylic Acids:Effect of the Geometries of Building Blocks on Hydrogen-Bonding Supramolecular Patterns

机译：弯曲的联吡啶基类型化合物与芳香族二羧酸的共结晶：结构单元的几何形状对氢键超分子模式的影响

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The high-yielding preparation and X-ray structures of six 1:1 molecular cocrystals consisting of bent dipyridyl bases and aromatic dicarboxylic acids,including [phthalic acid]·[3-bpoJ(1),[phthalic acid]·[4-bpo](2),fisophthalic acid]·[3-bpo](3),[isophthalic acid]-[4-bpo](4),[terephthalic acid]·[3-bpo](5),and [terephthalic acid]-[4-bpo](6),are described,in which 3-bpo refers to 2,5-bis(3-pyridyl)-l,3,4-oxadiazole and 4-bpo its 4-N-donor analogue 2,5-bis(4-pyridyl)-l,3,4-oxadiazole.A supramolecular synthon I [R~2_2(7)] containing classical O-H…N and weak C-H…O interactions,usually observed in organic cocrystals of carboxylic acids with other heterocyclic bases,is again shown to be involved in constructing most of these hydrogen-bonding networks.In compounds 3-5,tapes of acid/base components are formed via synthon I,which are further extended to result in two-dimensional(2-D)supramolecular sheets via additional C-H…O interactions.Compound 2 contains similar but helical tapes with synthon I,and the neighboring twisted chains are cross-linked via weak C-H…O hydrogen bonds to show a 2-D corrugated network.Compound 6 contains a similar 2-D layered structure to that of 3-5,although synthon I was not found due to the stereochemistry effect.Unexpectedly,adjacent layers are further combined into a three-dimensional(3-D)architecture through acid-base C-H…0 hydrogen bonds.However,in compound 1,through intermolecular O-H…N and C-H…O bonds,a novel 3-D structure was formed,in which acid and base subunits arrange alternately to exhibit a helical motif along the crystallographic [100] direction.For all these cocrystals,the common head-to-tail hydrogen-bonded ring motif [synthon II R_2~2(8)] between carboxylic acids is absent.Melting points of cocrystals 1-6 are mainly correlated with the nature of the acid component and crystal packing.Thermogravimetric analysis of mass loss for six compounds has been shown to correlate with the strength of hydrogen bonds in the packing fraction.
机译：由弯曲的二吡啶基和芳族二羧酸组成的六种1：1分子共晶体的高产率制备和X射线结构，包括[邻苯二甲酸]·[3-bpoJ（1），[邻苯二甲酸]·[4-bpo] ]（2），间苯二甲酸]·[3-bpo]（3），[间苯二甲酸]-[4-bpo]（4），[对苯二甲酸]·[3-bpo]（5）和[对苯二甲酸描述了]-[4-bpo]（6），其中3-bpo指2,5-双（3-吡啶基）-1,3,4-恶二唑和4-bpo及其4-N供体类似物2,5-双（4-吡啶基）-1,3,4-恶二唑。超分子合成子I [R〜2_2（7）]，含有经典的OH…N和弱的CH…O相互作用，通常在羧酸的有机共晶体中观察到带有其他杂环碱的酸再次证明参与构建大多数氢键网络。在化合物3-5中，通过合成子I形成酸/碱组分的带，并进一步扩展以产生二维（2-D）通过额外的CH…O相互作用的超分子薄片。化合物2包含类似但带合成子I的螺旋带，化合物6含有类似于3-5的2-D层状结构，尽管未发现合成子I出乎意料的是，相邻层通过酸碱CH…0氢键进一步结合成三维（3-D）结构。然而，在化合物1中，通过分子间OH…N和CH…O键，形成了一种新颖的3-D结构，其中酸和碱亚基交替排列，沿晶体学[100]方向显示出螺旋形基序。对于所有这些共晶体，常见的头对尾氢键合环基序[synthon II羧酸之间不存在R_2〜2（8）]。共晶体1-6的熔点主要与酸成分和晶体堆积的性质有关。对6种化合物的质量损失的热重分析表明与强度有关堆积部分中氢键的数量

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