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Organic salts of biguanide - An attempt to crystal engineering of novel materials for second harmonic generation

SYSNO ASEP	0342082
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Organic salts of biguanide - An attempt to crystal engineering of novel materials for second harmonic generation
Author(s)	Matulková, Irena (UFCH-W) Němec, I. (CZ) Císařová, I. (CZ) Němec, P. (CZ) Vaněk, Přemysl (FZU-D)_{RID, ORCID}
Source Title	Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860 Roč. 966, 1-3 (2010), s. 23-32
Number of pages	10 s.
Language	eng - English
Country	NL - Netherlands
Keywords	biguanidium(1+) oxalate hemihydrate ; biguanidium(1+) hydrogen succinate ; biguanidium(2+) tartrate
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA203/09/0878 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
	AV0Z10100520 - FZU-D (2005-2011)
UT WOS	000275769700005
DOI	10.1016/j.molstruc.2009.11.061
Annotation	Three organic salts of biguanide with oxalic, succinic and L-tartaric acids have been prepared and X-ray structural analysis has been performed. Biguanidium(1+) oxalate hemihydrate (a = 6.8330(2) angstrom, b = 10.0430(2) angstrom, c = 14.6230(4) angstrom, alpha = 90.236(1), beta = 90.333(1), gamma = 105.605(2), gamma = 966.46(4) angstrom(3), Z = 1. R = 0.0393 for 3704 observed reflections) and biguanidium(1+) hydrogen succinate (a = 6.4600(1) angstrom, b = 6.7670(2) angstrom, c = 11.4150(3) angstrom. alpha = 91.822(1), beta = 105.312(1), gamma = 90.922(1), V = 480.89(2) angstrom(3), Z = 2, R = 0.0357 for 1880 observed reflections) belong to the triclinic space group P T. Their crystal structures are based on biguanidium(1+) pairs connected by intermolecular N-H center dot center dot center dot N hydrogen bonds. The remaining ions (eventually water molecules) form a 3D structural network with these pairs.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2011

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