Interconvertible Supramolecular Transformations

Crystal Growth and Design

Volumn 2, Issue 4, 2002, Pages 259-262

  Vittal, Jagadese J ^a   Yang, Xiandong ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0141487884     PISSN: 15287483     EISSN: None     Source Type: Journal    
DOI: 10.1021/cg0255220     Document Type: Article

References (34)

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19. See for example: (a) Rabe, S.; Müller, U. Z. Anorg. Allg. Chem. 1999, 625, 1367-1370. (b) Englert, U.; Ganter, B.; Wagner, T.; Kläui, W. Z. Anorg. Allg. Chem. 1998, 624, 970-974. (c) Kepert, C. J.; Rosseinsky, M. J. Chem. Commun. 1999, 375-376. (d) Li, H.; Eddaoudi, M.; O'Keefe, M.; Yaghi, O. M. Nature 1999, 402, 276-279.
20. See for example: (a) Rabe, S.; Müller, U. Z. Anorg. Allg. Chem. 1999, 625, 1367-1370. (b) Englert, U.; Ganter, B.; Wagner, T.; Kläui, W. Z. Anorg. Allg. Chem. 1998, 624, 970-974. (c) Kepert, C. J.; Rosseinsky, M. J. Chem. Commun. 1999, 375-376. (d) Li, H.; Eddaoudi, M.; O'Keefe, M.; Yaghi, O. M. Nature 1999, 402, 276-279.
21. See for example: (a) Rabe, S.; Müller, U. Z. Anorg. Allg. Chem. 1999, 625, 1367-1370. (b) Englert, U.; Ganter, B.; Wagner, T.; Kläui, W. Z. Anorg. Allg. Chem. 1998, 624, 970-974. (c) Kepert, C. J.; Rosseinsky, M. J. Chem. Commun. 1999, 375-376. (d) Li, H.; Eddaoudi, M.; O'Keefe, M.; Yaghi, O. M. Nature 1999, 402, 276-279.
22. 2 = 0.0846 for all 4418 data. Flack parameter, x was refined to -0.004(14).
23. 2 = 0.0954 for all 3650 data. Flack parameter, x was refined to 0.01(2).
24. 2_$1),2.12(2)Å;H(4A)⋯O(3_$1),1.90(2) Å;H(1SA)⋯O(3_$2), 2.11(4) Å; H(4B)⋯O(1S), 2.00(5) Å; N(1)⋯O(2_$1), 3.029-(3) Å; O(4)⋯O(3_$1), 2.651(3) Å; O(1S)⋯O(3_$2), 2.729(3) Å; O(4)⋯O(1S), 2.747(4) Å; N(1)-H(1)⋯O(2_$1), 170(4)°; O(4)-H(4A)-O(3_$1), 171(4)°; O(1S)-H(1SA)-O(3_$2), 143-(4)°; O(4)-H(4B)-O(1S), 170(5)°; the N(1)-H(1), O(4)-H(4A), O(4)-H(4B), O(1S)-H(1SA) and O(1S)-H(1SB) distances are 0.92, 0.76(2), 0.76(2), 0.73(2), and 0.79(2) Å, respectively. The H(4A)-O(4)-H(4B) and H(1SA)-O(1S)-H(1SB) angles are 111(4) and 110(4)°, respectively. Operators for generating equivalent atoms: $1: x - 1/2, -y + 1/2, -z + 1/4 and $2: -y + 1/2, x - 1/2, z - 1/4.
25. The close intermolecular hydrogen bonding contacts are H(1)⋯O(2_$1), 2.26(5) Å; H(4B)⋯O(3_$1), 1.99(4) Å; N(1)⋯ O(2_$l), 3.075(5) Å; O(4)⋯O(3_$1), 2.639(5) Å; N(1)-H(1)⋯ O(2_$1), 171(5)°; O(4)-H(4B)-O(3_$1), 158(6)°; N(1)-H(1), O(4)-H(4A), O(4)-H(4B), O(1S)-H(1SA) and O(1S)-H(1SB) distances are 0.82, 0.69(3), 0.69(3), 0.69, and 0.69 Å, respectively. The H(4A)-O(4)-H(4B) and H(1SA)-O(1S)-H(1SB) angles are 111(4) and 123(6)°, respectively. Operators for generating equivalent atoms: $1: x - 1/2, -y + 1/2, -z + 1/4.
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29. 4 Superimposed structures of the building blocks of 1 and 2 revealed that the ligand conformation has changed drastically so as to retain its point group in the crystal lattice.
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34. General crystallographic details: Data were collected on a Siemens SMART CCD system with graphite-monochromated Mo Kα radiation and a sealed tube (2.4 kW) at 23 °C. Absorption corrections were made with the program SADABS (G. M. Sheldrick, Göttingen, 1996), and the crystallographic software package SHELXTL (SHELXTL Reference Manual, Version 5.03, Wisconsin, 1996) was used for all calculations.