Pyrrole hemikis(tetramethylammonium chloride)

Sample Originator: Michael B. Hursthouse, Phil A. Gale and Simon J. Coles.

C4H5N . 0 . 5(C4H12N) . 0 . 5Cl


Identification Number:10.5258/ecrystals/122
Date Created:30 August 2001
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

Tetramethylammonium chloride (1) has been recrystallized from pyrrole (2) yielding a pyrrole–chloride complex (I) that has been crystallographically characterized. Complex I contains a chloride anion that is bound by hydrogen bonds from two pyrrole rings and a tetramethylammonium cation. The supramolecular structure is reminiscent of a honeycomb array, comprised of a pyrrole–chloride framework with cavities occupied by tetramethylammonium moities.

Data collection parameters

Chemical formulaC6 H11 Cl0.50 N1.50
Crystal morphology
Crystal systemOrthorhombic
Space group symbolCmc2(1)
Cell length a15.094(2)
Cell length b9.0070(12)
Cell length c10.3253(16)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0402
R Factor (Obs)0.0617
R Factor (All)0.0900
Weighted R Factor (Obs)0.1393
Weighted R Factor (All)0.1558

Citation: Hursthouse, Michael B. and Gale, Phil A. and Coles, Simon J. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/122)
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