J Chem Crystallogr (2010) 40:1142–1145
1145
11. Sessler JL, Berthon-Gelloz G, Gale PA, Camiolo S, Anslyn EV,
Anzenbacher P Jr, Furuta H, Kirkovits GJ, Lynch VM, Maeda H,
Morosini P, Scherer M, Shriver J, Zimmerman RS (2003) Poly-
hedron 22:2963
12. Maeda H (2007) Eur J Org Chem 5313
13. Sessler JL, Moini M, Scherer M, Gebauer A, Lynch V (1998)
Chem Eur J 4:152
hydrogen bonding motif. DFT calculation rationalized that
the catemer synthon is energy more stable but is geometry
disadvantaged. This observation will help us make clear the
intermolecular interaction of pyrrole-2-carboxylate.
14. Norsten TB, McDonald R, Branda NR (1999) Chem Commun
719
Supplementary Material
15. Bernett MJ, Tipton AK, Huggins MT, Reeder JH, Lightner DA
(2000) Monatsh Chem 131:239
16. Maeda H, Kusunose Y, Terasaki M, Ito Y, Fujimoto C, Fujii R,
Nakanishi T (2007) Chem Asian J 2:350
17. Yin Z, Li Z (2006) Tetrahedron Lett 47:7875
18. Cui Y, Yin Z, Dong L, He J (2009) J Mol Struct 938:322
19. Harbuck JW, Rapoport H (1972) J Org Chem 23:3618
20. Bruker AXS (1998) SHELXTL Version 5.1. Bruker AXS,
Madison, WI, USA
Crystallographic data for structural analysis have been
deposited with the Cambridge Crystallographic Data Cen-
ter, CCDC 756384. Copies of this information may be
obtained free of charge on application to CCDC, 12 Union
Road, Cambridge CB2 1EZ, UK (Fax: ?44 1223 336 033;
21. Sheldrick GM (1997) SHELXS97 program package for crystal
¨ ¨
structure solution and refinement. University of Gottingen, Got-
Acknowledgements We are indebted to Professor Jin-Pei Cheng,
Department of Chemistry, Nankai University, for calculation. We
sincerely thank the financial supports from the Natural Science
Foundation of China (NSFC No. 20702038).
tingen, Germany
22. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA,
Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE,
Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN,
Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R,
Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Pet-
ersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck
AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV,
Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I,
Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng
CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW,
Johnson BG, Chen W, Wong MW, Andres JL, Head-Gordon M,
Replogle ES, Pople JA (1998) Gaussian 98 (Revision A.9).
Gaussian Inc, Pittsburgh PA
23. Houk KN, Menzer S, Newton SP, Raymo FM, Stoddart JF,
Williams DJ (1999) J Am Chem Soc 121:1479
24. Etter MC (1990) Acc Chem Res 23:120
25. Senge MO, Smith KM (2005) Acta Cryst C61:o537
26. Ramos Silva M, Sobral AJFN, Silva JA, Santos AC, Melo SM,
Matos Beja A (2007) J Chem Crystallogr 37:695
References
1. Nativi C, Cacciarini M, Francesconi O, Vacca A, Moneti G,
Lenco A, Roelens S (2007) J Am Chem Soc 129:4377
2. Francesconi O, Ienco A, Moneti G, Nativi C, Roelens S (2006)
Angew Chem Int Ed 45:6693
3. Fang J-M, Selvi S, Liao J-H, Slanina Z, Chen C-T, Chou PT
(2004) J Am Chem Soc 126:3559
4. Sessler JL, Camiolo S, Gale PA (2003) Coord Chem Rev 240:17
5. Yoon D-W, Gross DE, Lynch VM, Sessler JL, Hay BP, Lee C-H
(2008) Angew Chem Int Ed 47:5038
6. Cafeo G, Kohnke FH, White AJP, Garozzo D, Messina A (2007)
Chem Eur J 13:649
7. Coles SJ, Gale PA, Hursthouse MB (2001) CrystEngComm 3:
259
27. Davis RA, Carroll AR, Quinn RJ, Healy PC, White AR (2007)
Acta Cryst E63:o4076
8. Yin Z, Zhang Y, He J, Cheng J-P (2006) Tetrahedron 62:765
9. Yin Z, Li Z, Yu A, He J, Cheng J-P (2004) Tetrahedron Lett
45:6803
28. Antonio Paixao J, Ramos Silva M, Matos Beja A, Sobral AJFN,
Lopes SH, Rocha Gonsalves AM d’A (2003) Acta Cryst E59:o94
29. Kerscher T, Mayer P, Klufers P (2009) Acta Cryst E65:o2195
30. Spek AL (2003) J Appl Cryst 36:7
10. Dubis AT, Grabowski SJ (2002) New J Chem 26:165
123