Sample Originator: Michael B. Hursthouse, Phil A. Gale and Simon J. Coles.
C4H5N . 0 . 5(C4H12N) . 0 . 5Cl
InChI=1/C4H5N.C3H9N.Cl/c1-2-4-5-3-1;1-4(2)3;/h1-5H;1-3H3;
| Identification Number: | 10.5258/ecrystals/122 |
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| Date Created: | 30 August 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Tetramethylammonium chloride (1) has been recrystallized from pyrrole (2) yielding a pyrrolechloride 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 pyrrolechloride framework with cavities occupied by tetramethylammonium moities.
Data collection parameters
| Chemical formula | C6 H11 Cl0.50 N1.50 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Cmc2(1) |
| Cell length a | 15.094(2) |
| Cell length b | 9.0070(12) |
| Cell length c | 10.3253(16) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0402 |
| 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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