Synthesis and structure of 2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)]-5-benzimidazole ethylcarboxylate monohydrate

Citation
Z. Ates-alagoz et al., Synthesis and structure of 2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)]-5-benzimidazole ethylcarboxylate monohydrate, J CHEM CRYS, 30(2), 2000, pp. 103-107
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
ISSN journal
10741542 → ACNP
Volume
30
Issue
2
Year of publication
2000
Pages
103 - 107
Database
ISI
SICI code
1074-1542(200002)30:2<103:SASO2>2.0.ZU;2-T
Abstract
As part of a program investigating the conformations of potential anticarci nogens and antioxidants, the structure of the title compound C24H28N2O2. H2 O is reported. The monohydrate crystallizes in the monoclinic space group P 2/c with unit cell parameters a = 16.184(1), b = 7.937(1), c = 16.968(1), b eta = 92.788(7)degrees and Z = 4. The benzimidazole and tetrahydro-tetramet hylnaphthalene ring systems are inclined to one another by approximately 26 degrees. The water molecule plays an important role in the crystal structu re by hydrogen bonding to different functional groups of three organic moie ties. Additional crystal stabilization is due to pi-pi stacking of benzimid azole rings.