Water Tape Assembled in 1,10-Bis(2-pyrazinylcarbonyl)-1,4,7,10-tetraazadecane via H-Bonding and π−π Stacking

An icelike 2T6(2) water tape was formed in the organic host, 1,10-bis(2-pyrazinylcarbonyl)-1,4,7,10-tetraazadecane (BPTA), and characterized by X-ray diffraction. Each BPTA molecule crystallizes with six water molecules with a molecular formula of BPTA·6H2O. The 2T6(2) water tape is constructed of f...

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Veröffentlicht in:Crystal growth & design 2007-04, Vol.7 (4), p.595-597
Hauptverfasser: Shi, Xue-Fang, Zhang, Wen-Qin
Format: Artikel
Sprache:eng
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Zusammenfassung:An icelike 2T6(2) water tape was formed in the organic host, 1,10-bis(2-pyrazinylcarbonyl)-1,4,7,10-tetraazadecane (BPTA), and characterized by X-ray diffraction. Each BPTA molecule crystallizes with six water molecules with a molecular formula of BPTA·6H2O. The 2T6(2) water tape is constructed of fused six-membered water rings with chair conformations. The 2T6(2) water tape and BPTA molecules assemble into a network of water tapes sandwiched between BPTA tapes. The network is stabilized by π−π stacking between BPTA molecules and three types of hydrogen-bonding interactions:  between BPTA molecules, between the water molecules, and between the water and BPTA molecules.
ISSN:1528-7483
1528-7505
DOI:10.1021/cg0606390