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首页> 外文期刊>IUCrData >tert-Butyl 4-{3-[6-(4-meth-oxy-phen-yl)-2-methyl-pyrimidin-4-yl]quinolin-2-yl}piperazine-1-carboxyl-ate
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tert-Butyl 4-{3-[6-(4-meth-oxy-phen-yl)-2-methyl-pyrimidin-4-yl]quinolin-2-yl}piperazine-1-carboxyl-ate

机译:叔丁基4- {3- [6-(4-甲基 - 氢)-2-甲基嘧啶-4-基]喹啉-2-基}哌嗪-1-羧基 - 吃

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摘要

The asymmetric unit of the title compound, C 30 H 33 N 5 O 3 , contains two independent mol-ecules, A and B . In mol-ecule A , the tert -butyl 4-methyl-piperazine-1-carboxyl-ate group was refined as disordered over two sets of sites with an occupancy ratio of 0.821?(4):0.179?(4). The piperazine ring adopts a chair conformation in both mol-ecules. The dihedral angles between the pyrimidine ring and meth-oxy-phenyl ring are 20.27?(14) and 8.72?(11)° for mol-ecules A and B , respectively. The quinoline ring system makes dihedral angles of 30.68?(11) and 37.76?(10)° with the pyrimidine ring in mol-ecules A and B , respectively. In the crystal, C—H?O hydrogen bonds link the mol-ecules into chains along [100].
机译:标题化合物的不对称单元C 30 H 33 N 5 O 3含有两个独立的摩尔型肌肉,A和B。在Mol-Ecule A中,叔丁基4-甲基 - 哌嗪-1-羧基-Te组在两组位点上被精制为占用率为0.821?(4):0.179?(4)。哌嗪环在两种摩尔生物中采用椅子构象。嘧啶环和甲基苯基之间的二偏角角分别为20.27〜(14)和8.72〜(11)°,分别用于摩尔常生物A和B.喹啉环系统分别使二面角为30.68Ω(11)和37.76?(10)分别在摩尔生态葡萄球菌A和B中与嘧啶环。在晶体中,C-H 2 O氢键将Mol-Ecuple连杆沿[100]连接到链中。

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