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3
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80051793650
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Recent lists of articles relating CH/π interaction are available from.
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Recent lists of articles relating CH/π interaction are available from http://www.tim.hi-ho.ne.jp/dionisio/page/other.html.
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4
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0034740425
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H. Suezawa, T. Yoshida, M. Hirota, H. Takahashi, Y. Umezawa, K. Honda, S. Tsuboyama, and M. Nishio J. Chem. Soc., Perkin Trans. 2 2001 2053 2058
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(2001)
J. Chem. Soc., Perkin Trans. 2
, pp. 2053-2058
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Suezawa, H.1
Yoshida, T.2
Hirota, M.3
Takahashi, H.4
Umezawa, Y.5
Honda, K.6
Tsuboyama, S.7
Nishio, M.8
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9
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2742571467
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K. Harano, M. Yasuda, Y. Ida, T. Komori, and T. Taguchi Cryst. Struct. Commun. 10 1981 165 171
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(1981)
Cryst. Struct. Commun.
, vol.10
, pp. 165-171
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Harano, K.1
Yasuda, M.2
Ida, Y.3
Komori, T.4
Taguchi, T.5
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14
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0033950253
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A. Watanabe, M. Moriguchi, F. Ito, Y. Yoshitake, M. Eto, and K. Harano Heterocycles 53 2000 1 6
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(2000)
Heterocycles
, vol.53
, pp. 1-6
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Watanabe, A.1
Moriguchi, M.2
Ito, F.3
Yoshitake, Y.4
Eto, M.5
Harano, K.6
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15
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27944491127
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F. Ito, T. Moriguchi, Y. Yoshitake, M. Eto, S. Yahara, and K. Harano Chem. Pharm. Bull. 51 2003 688 696
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(2003)
Chem. Pharm. Bull.
, vol.51
, pp. 688-696
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Ito, F.1
Moriguchi, T.2
Yoshitake, Y.3
Eto, M.4
Yahara, S.5
Harano, K.6
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16
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34547092960
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A. Watanabe, K. Yamaguchi, F. Ito, Y. Yoshitake, and K. Harano Heterocycles 71 2007 343 359
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(2007)
Heterocycles
, vol.71
, pp. 343-359
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Watanabe, A.1
Yamaguchi, K.2
Ito, F.3
Yoshitake, Y.4
Harano, K.5
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17
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70349315227
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M. Eto, F. Ito, H. Sato, I. Shinohara, K. Yamaguchi, Y. Yoshitake, and K. Harano Heterocycles 78 2009 1485 1496
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(2009)
Heterocycles
, vol.78
, pp. 1485-1496
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Eto, M.1
Ito, F.2
Sato, H.3
Shinohara, I.4
Yamaguchi, K.5
Yoshitake, Y.6
Harano, K.7
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18
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72149100501
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M. Eto, K. Yamaguchi, I. Shinohara, F. Ito, Y. Yoshitake, and K. Harano Tetrahedron 66 2010 898 903
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(2010)
Tetrahedron
, vol.66
, pp. 898-903
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Eto, M.1
Yamaguchi, K.2
Shinohara, I.3
Ito, F.4
Yoshitake, Y.5
Harano, K.6
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27
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80051784455
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21) containing intramolecular edge-to-face conformation were examined. The calculations well reproduced the structural features of the crystal geometry. For details of the PM6 investigations see the Supplementary data (Figs. S9-S11)
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21) containing intramolecular edge-to-face conformation were examined. The calculations well reproduced the structural features of the crystal geometry. For details of the PM6 investigations see the Supplementary data (Figs. S9-S11).
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28
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80051782682
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In the calculation, the central benzene molecule is freely optimized and the coordinates of surrounding molecules are frozen. The stabilization energy due to inclusion of benzene by four edge-to-face interactions is calculated.
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In the calculation, the central benzene molecule is freely optimized and the coordinates of surrounding molecules are frozen. The stabilization energy due to inclusion of benzene by four edge-to-face interactions is calculated.
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29
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15744375697
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Gaussian, Wallingford CT
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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, V. Bakken, 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, and J.A. Pople Gaussian 03, Revision C.02 2004 Gaussian, Wallingford CT
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(2004)
Gaussian 03, Revision C.02
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, Jr.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
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30
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80051793061
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The DTA (differential thermal analysis) of 5d·acetone complex showed a broad endothermic peak corresponding to the guest losses at 89 °C, followed by an endothermic peak at 221 °C caused by melting of the host. The total weight loss was 7.7%. The value is much smaller than the expected loss of 15.2% for a 1:1 ratio. These facts indicated that the measurement sample used is the mixture of the complex and the guest-free crystal (see Fig. S3).
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The DTA (differential thermal analysis) of 5d·acetone complex showed a broad endothermic peak corresponding to the guest losses at 89 °C, followed by an endothermic peak at 221 °C caused by melting of the host. The total weight loss was 7.7%. The value is much smaller than the expected loss of 15.2% for a 1:1 ratio. These facts indicated that the measurement sample used is the mixture of the complex and the guest-free crystal (see Fig. S3).
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31
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80051792621
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A reviewer pointed out that the existence of the CH/N interaction between the methyl hydrogen and NCO π system is a questionable. Only a few examples (NH/N type) of protonation toward amide nitrogen atom were known as 'amide proton sponge'
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A reviewer pointed out that the existence of the CH/N interaction between the methyl hydrogen and NCO π system is a questionable. Only a few examples (NH/N type) of protonation toward amide nitrogen atom were known as 'amide proton sponge'.
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34
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80051801118
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bThe details will be reported in the near future.
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bThe details will be reported in the near future.
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80051794905
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3.
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3.
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34249084272
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SIR2008
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SIR2008: M.C. Burla, R. Caliandro, M. Camalli, B. Carrozzini, G. Cascarano, L. De Caro, C. Giacovazzo, G. Polidori, D. Siliqi, and R. Spagna J. Appl. Crystallogr. 40 2007 609 613
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(2007)
J. Appl. Crystallogr.
, vol.40
, pp. 609-613
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Burla, M.C.1
Caliandro, R.2
Camalli, M.3
Carrozzini, B.4
Cascarano, G.5
De Caro, L.6
Giacovazzo, C.7
Polidori, G.8
Siliqi, D.9
Spagna, R.10
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38
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80051781713
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CRYSTALS Issue 11:, Chemical Crystallography Laboratory Oxford, UK
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CRYSTALS Issue 11: J.R. Carruthers, J.S. Rollett, P.W. Betteridge, D. Kinna, L. Pearce, A. Larsen, and E. Gabe 1999 Chemical Crystallography Laboratory Oxford, UK
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(1999)
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Carruthers, J.R.1
Rollett, J.S.2
Betteridge, P.W.3
Kinna, D.4
Pearce, L.5
Larsen, A.6
Gabe, E.7
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40
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Y. Yoshitake, J. Misaka, K. Setoguchi, M. Abe, T. Kawaji, M. Eto, and K. Harano J. Chem. Soc., Perkin Trans. 2 9 2002 1161 1169
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(2002)
J. Chem. Soc., Perkin Trans. 2
, vol.9
, pp. 1161-1169
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Yoshitake, Y.1
Misaka, J.2
Setoguchi, K.3
Abe, M.4
Kawaji, T.5
Eto, M.6
Harano, K.7
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41
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D.R. Boyd, T.A. Evans, W.B. Jennings, J.F. Malone, W. O'Sullivan, and A. Smith Chem. Commun. 1996 2269 2270
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(1996)
Chem. Commun.
, pp. 2269-2270
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Boyd, D.R.1
Evans, T.A.2
Jennings, W.B.3
Malone, J.F.4
O'Sullivan, W.5
Smith, A.6
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