catena-Poly[[(ethanol-O)[3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid-O]lithium]-3-(1-phenyl-1H-pyrazol-3-yl)benzoato-k2O:O']

Fun, Hoong-Kun and Balasubramani, Kasthuri and Rai, Sankappa and Shetty, Prakash and Isloor, Arun M (2009) catena-Poly[[(ethanol-O)[3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid-O]lithium]-3-(1-phenyl-1H-pyrazol-3-yl)benzoato-k2O:O']. Acta Crystallographica Section E Structure Reports , 65 (8). pp. 917-918. ISSN 1600-5368

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The asymmetric unit of the title polymeric compound, [Li2(C16H11N2O2)2(C16H12N2O2)2(CH3CH2OH)2]n, contains two LiI ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoate ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid molecules and two ethanol molecules. In the crystal structure, each of the two LiI ions has a distorted tetrahedral geometry, coordinated by two carboxylate O atoms, one carboxyl O atom and one ethanol O atom. The carboxylate group bridges the LiI ions, forming a one-dimensional polymeric chain along [100]. The crystal structure is further stabilized by O—H...O and C— H...N hydrogen bonding, and interactions with centroid– centroid distances in the range 3.6534 (13)–3.8374 (13) A ° .

Item Type: Article
Uncontrolled Keywords: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A° ; R factor = 0.066; wR factor = 0.168; data-to-parameter ratio = 21.2.
Subjects: Engineering > MIT Manipal > Chemistry
Engineering > MIT Manipal > Printing and Media
Depositing User: MIT Library
Date Deposited: 11 Jan 2012 04:12
Last Modified: 11 Jan 2012 04:12

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