Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1H-benzimidazole-5 -carboxylate hemihydrate

被引:0
|
作者
机构
关键词
D O I
10.1107/S0108768100000033
中图分类号
学科分类号
摘要
The title compound, C21H23ClN4O2·0.5H2O, contains two independent molecules in the asymmetric unit. In each molecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are -0.678 (3) and 0.662 (3) angstroms in molecule A, and 0.687 (3) and -0.700 (3) angstrom in molecule B. The molecules are linked by two hydrogen bonds of the O-H···N type involving the O atom of the water molecule of crystallization.
引用
收藏
相关论文
共 50 条
  • [21] Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol
    PIYUSH PANINI
    RAHUL SHUKLA
    T P MOHAN
    B VISHALAKSHI
    DEEPAK CHOPRA
    Journal of Chemical Sciences, 2014, 126 : 1337 - 1345
  • [22] 2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol
    Zhou, Li-Na
    Yan, Long
    Zhou, Hui-Liang
    Yang, Qing-Feng
    Hu, Qi-Lin
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O100 - U2222
  • [23] Synthesis and Characterization of New 1-(4-Methylpiperazin-1-yl)-thioureas as Potential Antitubercular Agents
    Hearn, Michael J.
    Wang, Tracy
    Cynamon, Michael H.
    JOURNAL OF HETEROCYCLIC CHEMISTRY, 2017, 54 (01) : 720 - 727
  • [24] Crystal structure of 2-(4-methylpiperazin-1-yl)quinoline-3-carbaldehyde
    Desai, R. Nivedita
    Sreenivasa, S.
    Naveen, S.
    Lokanath, N. K.
    Suchetan, P. A.
    Kumar, D. B. Aruna
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O900 - U690
  • [25] Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol
    Panini, Piyush
    Shukla, Rahul
    Mohan, T. P.
    Vishalakshi, B.
    Chopra, Deepak
    JOURNAL OF CHEMICAL SCIENCES, 2014, 126 (05) : 1337 - 1345
  • [26] Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Choon, Tan Soo
    Asik, Safra Izuani Jama
    Razak, Ibrahim Abdul
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 : O59 - +
  • [27] Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Choon, Tan Soo
    Asik, Safra Izuani Jama
    Razak, Ibrahim Abdul
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 : O308 - U1901
  • [28] 3-(4-Bromophenyl)-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde
    Li, Fu-Rong
    Zhang, Yu-Juan
    Guo, Feng-Guang
    Duan, Gui-Yun
    Ge, Yan-Qing
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O2203 - +
  • [29] A QSAR study on 2-(4-methylpiperazin-1-yl)quinoxalines as human histamine H4 receptor ligands
    Sharma, Brij K.
    Pilania, Pradeep
    Singh, Prithvi
    Prabhakar, Yenamandra S.
    JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2011, 26 (03) : 412 - 421
  • [30] Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate monohydrate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Choon, Tan Soo
    Hemamalini, Madhukar
    Fun, Hoong-Kun
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O3060 - U1628