Inspired by the previous machine‐learning study that the number of hydrogen‐bonding acceptor (NHBA) is important index for the hole mobility of organic semiconductors, seven dithienobenzothiazole (DBT) derivatives 1a–g (NHBA = 5) were designed and synthesized by one‐step functionalization from a common precursor. X‐ray single‐crystal structural analyses confirmed that the molecular arrangements of 1b (the diethyl and ethylthienyl derivative) and 1c (the di(n‐propyl) and n‐propylthienyl derivative) in the crystal are classified into brickwork structures with multidirectional intermolecular charge‐transfer integrals, as a result of incorporation of multiple hydrogen‐bond acceptors. The solution‐processed top‐gate bottom‐contact devices of 1b and 1c had hole mobilities of 0.16 and 0.029 cm2 V–1s–1, respectively.

中文翻译：

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S•••N 和 S•••S 相互作用控制的二噻吩并苯并噻唑基半导体的机器学习启发的分子设计、发散合成和 X 射线分析


受先前机器学习研究的启发，氢键受体（NHBA）的数量是有机半导体空穴迁移率的重要指标，设计并合成了七种二噻吩并苯并噻唑（DBT）衍生物1a-g（NHBA = 5） ‐来自共同前体的步骤功能化。 X射线单晶结构分析证实晶体中1b（二乙基和乙基噻吩基衍生物）和1c（二（正丙基）和正丙基噻吩基衍生物）的分子排列属于具有多向分子间电荷的砖砌结构‐转移积分，由于合并了多个氢键受体。 1b 和 1c 的溶液处理顶栅底接触器件的空穴迁移率分别为 0.16 和 0.029 cm2 V-1s-1。