Ethyl 2-[4-(morpholin-4-yl) phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,3-benzimidazole-5-carboxylate monohydrate

被引:1
|
作者
Yoon, Yeong Keng [1 ]
Ali, Mohamed Ashraf [1 ]
Choon, Tan Soo [1 ]
Arshad, Suhana [2 ]
Razak, Ibrahim Abdul [2 ]
机构
[1] Univ Sains Malaysia, Inst Res Mol Med, Minden 11800, Penang, Malaysia
[2] Univ Sains Malaysia, Sch Phys, Usm 11800, Penang, Malaysia
关键词
D O I
10.1107/S1600536812039268
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C27H32N4O4 center dot H2O, contains two independent benzimidazole-5-carboxylate molecules and two water molecules. In both main molecules, the pyrrolidine rings are in an envelope conformation with a methylene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008 (1) angstrom, and form dihedral angles of 37.65 (6) and 45.44 (6)degrees with the benzene rings. In one molecule, an intramolecular C-H center dot center dot center dot O hydrogen bond forms an S(7) ring motif. In the crystal, O-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds connect pairs of main molecules and pairs of water molecules into two independent centro-symmetric four-compoment aggregates. These aggregates are connect by C-H center dot center dot center dot O hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O2967 / +
页数:16
相关论文
共 50 条
  • [1] Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(morpholin-4-yl)phenyl]-1H-1,3-benzimidazole-5-carboxylate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Ismail, Rusli
    Rosli, Mohd Mustaqim
    Fun, Hoong-Kun
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1772 - U1399
  • [2] Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-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 : O251 - U1401
  • [3] Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Wei, Ang Chee
    Asik, Safra Izuani Jama
    Razak, Ibrahim Abdul
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 : O471 - U1263
  • [4] 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
  • [5] 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 - +
  • [6] Ethyl 2-(4-hydroxy-3-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl) propyl]-1H-benzimidazole-5-carboxylate monohydrate
    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 : O87 - U129
  • [7] Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4(trifluoromethyl)phenyl]-1H-benzimidazole-5-carboxylate
    Yoon, Yeong Keng
    Ali, Mohamed Ashraf
    Choon, Tan Soo
    Hemamalini, Madhukar
    Fun, Hoong-Kun
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1215 - U1249
  • [8] Ethyl 2-[5-(4-fluorophenyl)pyridin-3-yl]1-[3-(2-oxopyrrolidin-1-yl) propyl]-1H-benzimidazole-5-carboxylate
    Yeong, Keng Yoon
    Ali, Mohamed Ashraf
    Choon, Tan Soo
    Rosli, Mohd Mustaqim
    Razak, Ibrahim Abdul
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O1013 - +
  • [9] 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
  • [10] Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-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