Abstract
The crystalline dihydrate and hydrochloride trihydrate of a new betaine, namely, L·2H2O (1) and [L2H]Cl·3H2O(2) (L=p-Me2NC5H4N+CH2CO2), have been synthesized and characterized by X-ray crystallography. Molecule L in compound1 [space groupPbcn, witha=15.732(3),b=7.894(2),c=18.304(4) Å, andZ=8] possesses approximateC s symmetry. The formation of hydrogen bonds by water molecules bridging neighboring carboxy oxygen atoms leads to an infinite two-dimensional network composed of a packing of two different kinds of 12-membered rings. In compound2 [space group PT witha=7.341(2),b=9.543(2),c=17.010(4) Å, α=82.43(2)°, δ=80.34(2)°, λ=74.05(2)°, andZ=2], the carboxylate groups of a pair of betaine molecules are bridged by a proton to form a dimeric cation L2H+ with a very strong asymmetric hydrogen bond of length 2.464(7) Å. The crystal structure features a hydrogen-bonded corrugated ribbon comprising an alternate arrangement of edge-sharing centrosymmetric (H2O)4(Cl−)2 and (H2O)4 rings running parallel to thea axis.
Similar content being viewed by others
References
Blunden, G.; Gordon, S.M.Prog. Phycol. Res. 1986,4, 39.
Mak, T.C.W.,J. Mol. Struct. 1990,220, 13.
Yip, W.H.; Wang, R.-J.; Mak, T.C.W.Acta Crystallogr. Sect C 1990,46, 717.
Chen, X.-M.; Mak, T.C.W.J. Mol. Struct. 1990,240, 69.
Huang, W.-Y.; Du, X.-M.; Yang, B.-H.; Mak, T.C.W.J. Mol. Struct. 1990,222, 479.
Chen, X.-M.; Mak, T.C.W.J. Mol. Struct. 1990,221, 265.
Chen, X.-M.; Mak, T.C.W.J. Mol. Struct. 1991,245, 301.
Wu, D.-D.; Mak, T.C.W.J. Mol. Struct. 1994,326, 193.
Wei, P.-R.; Wu, D.-D.; Mak, T.C.W.J. Mol. Struct 1995, in press.
Sparks, R.A. (1976) InCrystallographic Computing Techniques; Ahmed, F.R., Ed., Munksgaard: Copenhagen, 1976; p 452.
Diamond, R.Acta Crystallogr. 1969,A27, 43.
Kopfmann, G.; Huber, R.Acta Crystallogr. 1968,A24, 348.
Sheldrick, G.M.SHELXTL-PC, Program Package for X-Ray Crystal Structure Determination, Siemens Analytical Instruments Inc. Karlsruhe; Germany, 1990.
Emsley,J. Chem. Soc. Rev. 1980,9, 91.
Chen, X.-M.; Mak, T.C.W.J. Mol. Struct. 1991,249, 135.
Speakman, J.C.Struct. Bonding (Berlin) 1972,12, 141.
Mak, T.C.W.; So, S.P.; Chieh, C.; Jasim, K.S.,J. Mol. Struct. 1985,127, 357.
Karapetyan, H.A.; Struchkov, Yu T.; Dvoryantseva, G.G.Cryst. Struct. Commun. 1982,11, 1441.
Herbstein F.H.; Ashkenazi, P.; Kaftory, M.; Kapon, M.; Reisner, G.M.; Ginsburg, D.Acta Crystallogr. Sect B 1986,42, 575.
Kapon, M.; Yorkovsky, Y.; Dori, Z.Z. Inorg. Chim. Acta 1986,124, 149.
Kwok, C.-K.; Mak, T.C.W.J. Crystallogr. Spectrosc. Res. 1988,18, 251.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Wei, PR., Li, Q. & Mak, T.C.W. Molecular structure and hydrogen bonding of 4-dimethylaminopyridinioacetate in its crystalline dihydrate and hydrochloride trihydrate, L·2H2O and [L2H]Cl·3H2O (L=p-Me2NC5H4N+CH2CO2 −). J Chem Crystallogr 26, 133–139 (1996). https://doi.org/10.1007/BF01669730
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01669730