当前位置：
X-MOL 学术
›
CrystEngComm
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Smart control of calixarene polymorphic states
CrystEngComm ( IF 2.6 ) Pub Date : 2020-09-15 , DOI: 10.1039/d0ce01070g Mukhammet N. Gabdulkhaev 1, 2, 3, 4 , Marat A. Ziganshin 1, 2, 3, 4 , Aleksey V. Buzyurov 1, 2, 3, 4 , Christoph Schick 1, 2, 3, 4, 5 , Svetlana E. Solovieva 1, 2, 3, 4, 6 , Elena V. Popova 6, 7, 8 , Aidar T. Gubaidullin 6, 7, 8 , Valery V. Gorbatchuk 1, 2, 3, 4
CrystEngComm ( IF 2.6 ) Pub Date : 2020-09-15 , DOI: 10.1039/d0ce01070g Mukhammet N. Gabdulkhaev 1, 2, 3, 4 , Marat A. Ziganshin 1, 2, 3, 4 , Aleksey V. Buzyurov 1, 2, 3, 4 , Christoph Schick 1, 2, 3, 4, 5 , Svetlana E. Solovieva 1, 2, 3, 4, 6 , Elena V. Popova 6, 7, 8 , Aidar T. Gubaidullin 6, 7, 8 , Valery V. Gorbatchuk 1, 2, 3, 4
Affiliation
|
An efficient strategy of polymorph screening is offered for tert-butylthiacalix[4]arene tetrasubstituted with phenacyloxy groups (1), which is based on saturation of its guest-free solid samples and inclusion compounds with guest vapors inducing solid–solid phase transition, complete or partial exchange or repulsion of included guests. The offered approach makes the preparation of polymorphs more reproducible and predictable as the performed phase transitions are under mostly thermodynamic control even when giving metastable forms. Smart transformation of calixarene states was demonstrated where stable and metastable polymorphs are formed in a kind of on/off switching. Guest repulsion or solid-phase exchange with another guest vapor gives a guest-free form directly, or a less stable inclusion compound is prepared that can release guests by drying under milder conditions without host collapse to a stable packing. In total, seven polymorphs of 1 were identified and characterized. Single-crystal data reveal the polymorphophore features of 1, which help to control its polymorphic state. The observed control of polymorphic transitions contributes to the comprehension of their causes and mechanism. The elaborated procedures enable an effective screening of polymorphs through a standardized treatment of the target compound on a click basis with a flexible variation of conditions, which may be scaled up to find more crystal forms.
中文翻译：
杯芳烃多态状态的智能控制
提供了一种高效的多晶型物筛选策略，用于被苯乙氧基四取代的叔丁基硫杂杯[4]芳烃（1），其基于不含客体的固体样品和夹杂物以及客体蒸气的饱和度，从而引起固-固相变，夹杂物的全部或部分交换或排斥。所提供的方法使多晶型物的制备更可重现和可预测，因为即使给出亚稳态形式，所进行的相变都在热力学控制下进行。证明了杯芳烃状态的智能转变，其中通过一种开/关切换形成了稳定且亚稳态的多晶型物。客体排斥或与另一客体蒸气的固相交换直接得到无客体的形式，或者制备了一种稳定性较差的包合物，该化合物可以通过在较温和的条件下干燥而释放客体，而不会塌陷成稳定的填料。总共有1个的7个多态被鉴定和表征。单晶数据揭示了1的多晶型特征，这有助于控制其多态状态。观察到的控制多态转变有助于理解其原因和机理。精心制定的程序可通过在点击的基础上对目标化合物进行标准化处理以及条件的灵活变化来有效筛选多晶型物，条件可以灵活变化，可以按比例放大以寻找更多的晶型。
更新日期：2020-10-07
中文翻译：
杯芳烃多态状态的智能控制
提供了一种高效的多晶型物筛选策略，用于被苯乙氧基四取代的叔丁基硫杂杯[4]芳烃（1），其基于不含客体的固体样品和夹杂物以及客体蒸气的饱和度，从而引起固-固相变，夹杂物的全部或部分交换或排斥。所提供的方法使多晶型物的制备更可重现和可预测，因为即使给出亚稳态形式，所进行的相变都在热力学控制下进行。证明了杯芳烃状态的智能转变，其中通过一种开/关切换形成了稳定且亚稳态的多晶型物。客体排斥或与另一客体蒸气的固相交换直接得到无客体的形式，或者制备了一种稳定性较差的包合物，该化合物可以通过在较温和的条件下干燥而释放客体，而不会塌陷成稳定的填料。总共有1个的7个多态被鉴定和表征。单晶数据揭示了1的多晶型特征，这有助于控制其多态状态。观察到的控制多态转变有助于理解其原因和机理。精心制定的程序可通过在点击的基础上对目标化合物进行标准化处理以及条件的灵活变化来有效筛选多晶型物，条件可以灵活变化，可以按比例放大以寻找更多的晶型。
京公网安备 11010802027423号