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37
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17644387508
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The most dense polymorph is not always the thermodynamic form: H. H. Y. Tong, B. Y. Shekunov, J. P. Chan, C. K. F. Mok, H. C. M. Hung, A. H. L. Chow, Int. J. Pharm. 2005, 295, 191.
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54549115318
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The GRAS chemicals list is available at http://www.cfsan.fda.gov/~dms/ eafus.html; pharmaceutical cocrystals of TMZ with GRAS acids and amides have been prepared (manuscript in preparation).
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The GRAS chemicals list is available at http://www.cfsan.fda.gov/~dms/ eafus.html; pharmaceutical cocrystals of TMZ with GRAS acids and amides have been prepared (manuscript in preparation).
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62
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54549114791
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[26c] (an analogue of carbamazepine) dimorphs have dimer and catemer N-H⋯O synthons.
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[26c] (an analogue of carbamazepine) dimorphs have dimer and catemer N-H⋯O synthons.
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63
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J. Bernstein, R. E. Davis, L. Shimoni, N.-L. Chang, Angew. Chem. 1995, 107, 1689;
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69
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54549106000
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[29e] has shorter N-H⋯O bonds, but the distance is still >2.0 Å
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[29e] has shorter N-H⋯O bonds, but the distance is still >2.0 Å.
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76
-
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54549121830
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[16] as opposed to over 30 cocrystal polymorph sets today (see Supporting Information, Table S1).
-
[16] as opposed to over 30 cocrystal polymorph sets today (see Supporting Information, Table S1).
-
-
-
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77
-
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54549114792
-
-
-3, R1=0.0385, wR2=0.1026.
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-3, R1=0.0385, wR2=0.1026.
-
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79
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54549091424
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G. M. Sheldrick, SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Göttingen, Göttingen (Germany), 1997.
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G. M. Sheldrick, SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Göttingen, Göttingen (Germany), 1997.
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81
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54549100634
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Graphical Interface to SHELX-97 and POV-Ray, University of Missouri, Columbia, MO (USA)
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L. J. Barbour, X-Seed, Graphical Interface to SHELX-97 and POV-Ray, University of Missouri, Columbia, MO (USA), 1999.
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(1999)
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Barbour, L.J.1
X-Seed2
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82
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54549126137
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Rietveld refinement was carried out with Powder Cell: N. Kraus, G. Nolze, Powder Cell (version 2.3, Federal Institute for Materials Research and Testing, Berlin Germany, 2000
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Rietveld refinement was carried out with Powder Cell: N. Kraus, G. Nolze, Powder Cell (version 2.3), Federal Institute for Materials Research and Testing, Berlin (Germany), 2000.
-
-
-
-
83
-
-
54549113617
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Gaussian 03 Revision B.05, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M
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Gaussian 03 (Revision B.05), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2003
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84
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54549110510
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2, Materials Studio, to be found under www.accelrys.com.
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2, Materials Studio, to be found under www.accelrys.com.
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85
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54549095103
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Spartan 04, to be found under www.wavefun.com.
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Spartan 04, to be found under www.wavefun.com.
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