Crystallography Open Database

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7204995 CIFC20 H24 S2P 1 21/n 117.0312; 5.0495; 22.4681
90; 106.752; 90
1850.23Cyclic thiatetraynes: syntheses and structural properties
Journal of the Chemical Society, Perkin Transactions 2, 2002, 72
7204996 CIFC22 H28 S8P b c a9.8778; 9.574; 28.605
90; 90; 90
2705.18Cyclic thiatetraynes: syntheses and structural properties
Journal of the Chemical Society, Perkin Transactions 2, 2002, 72
7204997 CIFC16 H16 S8P 1 21/c 111.6465; 9.3011; 10.0017
90; 101.196; 90
1062.82Cyclic thiatetraynes: syntheses and structural properties
Journal of the Chemical Society, Perkin Transactions 2, 2002, 72
7204998 CIFC2 H5 N SP 1 21/c 17.03; 9.911; 11.019
90; 99.643; 90
756.9Hambley, Trevor W.; Hibbs, David E.; Turner, Peter; Howard, Siân T.; Hursthouse, Michael B.
Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution
Journal of the Chemical Society, Perkin Transactions 2, 2002, 235
7204999 CIFC26 H34 N2 O2P n n 212.6113; 16.164; 5.8952
90; 90; 90
1201.7Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham
New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials
Journal of the Chemical Society, Perkin Transactions 2, 2002, 533
7205000 CIFC18 H26 N2 O2P 1 21/n 16.332; 13.4029; 11.2087
90; 92.007; 90
950.7Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham
New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials
Journal of the Chemical Society, Perkin Transactions 2, 2002, 533
7205004 CIFC34 H36 O2P 1 21/c 116.6711; 10.6712; 24.3875
90; 101.435; 90
4252.43Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205005 CIFC46 H64 N4 O6P -19.0806; 8.9414; 14.935
74.477; 88.693; 110.189
1087.67Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205006 CIFC45 H63 N3 O6 SP -19.0858; 9.0547; 14.7684
107.144; 91.527; 70.236
1089Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205007 CIFC44 H62 N2 O6 S2P -19.1425; 9.173; 14.273
71.356; 81.229; 69.938
1064.13Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205008 CIFC43 H61 N O6 S3P -19.046; 9.1291; 14.409
72.559; 80.132; 71.486
1072.64Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205009 CIFC42 H60 O6 S4P -19.0359; 9.1353; 14.4126
72.981; 80.086; 71.631
1075.44Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205010 CIFC46 H60 O6P 1 21/c 18.9057; 26.9049; 9.1615
90; 108.59; 90
2080.62Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205011 CIFC46 H62 N2 O6P -18.9932; 9.1674; 14.3817
108.326; 92.808; 70.886
1061.57Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205012 CIFC44 H60 O6 S2P -18.9424; 9.1788; 14.345
72.25; 79.8; 71.09
1056.9Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1973
7205013 CIFC10 H12 Br4P 1 21/n 111.072; 9.078; 12.442
90; 101.65; 90
1224.8Lightfoot, Phillip; Pareschi, Patrizia; Walton, John C.
Comparison of hydrogen abstraction and homolytic substitution in pentacyclo[4.n.0.02,5.03,8.04,7]alkanesElectronic supplementary information (ESI) available: experimental details (GC-MS) for photobrominations of basketane and homocubane. See http://www.rsc.org/suppdata/p2/b2/b200699e/
Journal of the Chemical Society, Perkin Transactions 2, 2002, 918
7205018 CIFC17 H15 N O2P b c a7.2179; 14.926; 26.015
90; 90; 90
2802.7Vande Velde, Christophe M. L.; Blockhuys, Frank; Alsenoy, Christian Van; Lenstra, Albert T. H.; Geise, Herman J.
Structural effects influencing cis‒trans isomerisation in methoxy and cyano substituted stilbene derivativesElectronic supplementary information (ESI) available: Cartesian coordinates for the calculated geometries of 1‒3 and (E)- and (Z)-stilbene. See http://www.rsc.org/suppdata/p2/b2/b201623k/
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1345
7205019 CIFC16 H13 N OP 1 21/c 110.415; 11.437; 11.705
90; 113.86; 90
1275.1Vande Velde, Christophe M. L.; Blockhuys, Frank; Alsenoy, Christian Van; Lenstra, Albert T. H.; Geise, Herman J.
Structural effects influencing cis‒trans isomerisation in methoxy and cyano substituted stilbene derivativesElectronic supplementary information (ESI) available: Cartesian coordinates for the calculated geometries of 1‒3 and (E)- and (Z)-stilbene. See http://www.rsc.org/suppdata/p2/b2/b201623k/
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1345
7205021 CIFC8 H13 N O5 SP 21 21 219.2817; 10.5236; 10.5688
90; 90; 90
1032.3Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.
Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1066
7205022 CIFC8 H13 N O5 SC m c 2119.486; 8.35; 6.557
90; 90; 90
1066.9Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.
Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1066
7205039 CIFC28 H26 N6 O7P b c a7.171; 11.543; 65.146
90; 90; 90
5392Carella, Antonio; Castaldo, Anna; Centore, Roberto; Fort, Alain; Sirigu, Augusto; Tuzi, Angela
Synthesis and second order nonlinear optical properties of new chromophores containing 1,3,4-oxadiazole and thiophene rings
Journal of the Chemical Society, Perkin Transactions 2, 2002, 1791
7212952 CIFC70 H18 O3P 1 21/n 110.0491; 31.5976; 11.6546
90; 93.197; 90
3694.9Hamad Al-Matar; Ala'a K. Abdul-Sada; Anthony G. Avent; Patrick W. Fowler; Peter B. Hitchcock; Kevin M. Rogers; Roger Taylor
Isolation and characterisation of symmetrical C60Me6, C60Me5Cl and C60Me5O2OH, together with unsymmetrical C60Me5O3H, C60Me5OOH, C60Me4PhO2OH, and C60Me12; fragmentation of methylfullerenols to C58
Journal of the Chemical Society, Perkin Transactions 2, 2002, 53-58
7212953 CIFC66 H18P 1 21/n 111.6277; 19.6831; 15.1972
90; 100.541; 90
3419.5Hamad Al-Matar; Ala'a K. Abdul-Sada; Anthony G. Avent; Patrick W. Fowler; Peter B. Hitchcock; Kevin M. Rogers; Roger Taylor
Isolation and characterisation of symmetrical C60Me6, C60Me5Cl and C60Me5O2OH, together with unsymmetrical C60Me5O3H, C60Me5OOH, C60Me4PhO2OH, and C60Me12; fragmentation of methylfullerenols to C58
Journal of the Chemical Society, Perkin Transactions 2, 2002, 53-58
7212960 CIFC3 H5 N3 O4 SP -15.4492; 7.905; 8.7156
108.173; 99.135; 104.05
334.65Ra, Do Young; Cho, Nam Sook; Kang, Sung Kwon; Choi, Eun Suk; Suh, Il Hwan
Synthetic and tautomeric studies of 5-amino-2,3-dihydro-1,2,4-oxadiazol-3-one
Journal of the Chemical Society, Perkin Transactions 2, 1999, 81
7212961 CIFC28 H48 O4P 21 21 217.8955; 11.486; 28.835
90; 90; 90
2615Drosihn, Susanne; Porzel, Andrea; Voigt, Brunhilde; Brandt, Wolfgang; Wagner, Christoph; Merzweiler, Kurt; Adam, Günter
Conformational studies of two new brassinosteroid analogues with a 22,23-trans diol function
Journal of the Chemical Society, Perkin Transactions 2, 1999, 233
7212975 CIFC22 H22P 1 21 17.987; 12.6805; 8.1337
90; 105.788; 90
792.7Grimme, Stefan; Mennicke, Wolfram; Vögtle, Fritz; Nieger, Martin
Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane
Journal of the Chemical Society, Perkin Transactions 2, 1999, 521
7212976 CIFC54 H58 O9P 1 21/c 120.979; 12.7224; 17.618
90; 98.88; 90
4646Kim, Jong Seung; Pang, Jin Hyun; Yu, Ill Yong; Lee, Won Ku; Suh, Il Hwan; Kim, Jong Kuk; Cho, Moon Hwan; Kim, Eun Tae; Ra, Do Young
Calix[4]arene dibenzocrown ethers as caesium selective extractants
Journal of the Chemical Society, Perkin Transactions 2, 1999, 837
7212977 CIFC62 H74 O9P 1 21 113.11; 18.355; 11.861
90; 97.92; 90
2827Kim, Jong Seung; Pang, Jin Hyun; Yu, Ill Yong; Lee, Won Ku; Suh, Il Hwan; Kim, Jong Kuk; Cho, Moon Hwan; Kim, Eun Tae; Ra, Do Young
Calix[4]arene dibenzocrown ethers as caesium selective extractants
Journal of the Chemical Society, Perkin Transactions 2, 1999, 837
7212987 CIFC36 H52 Cl2 Cu N4 O20P -110.974; 11.421; 11.698
114.18; 93.573; 116.809
1137.5Lebon, Florence; Ledecq, Marie; Benatallah, Zohra; Sicsic, Sames; Lapouyade, René; Kahn, Olivier; Garçon, Arnaud; Reboud-Ravaux, Michèle; Durant, François
Synthesis and structural analysis of copper(II) pyridine amide complexes as HIV-1 protease inhibitors
Journal of the Chemical Society, Perkin Transactions 2, 1999, 795
7212988 CIFC36 H32 Cl2 Cu N4 O12P -18.544; 8.858; 13.707
88.05; 72.984; 64.944
893.77Lebon, Florence; Ledecq, Marie; Benatallah, Zohra; Sicsic, Sames; Lapouyade, René; Kahn, Olivier; Garçon, Arnaud; Reboud-Ravaux, Michèle; Durant, François
Synthesis and structural analysis of copper(II) pyridine amide complexes as HIV-1 protease inhibitors
Journal of the Chemical Society, Perkin Transactions 2, 1999, 795
7212989 CIFC14 H11 N O3I 1 2/a 114.84; 6.813; 22.68
90; 97.796; 90
2271.9Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.
Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 807
7212990 CIFC14 H11 N O3I 1 2/a 114.831; 6.718; 22.66
90; 97.61; 90
2237.8Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.
Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 807
7212996 CIFC104 H80 Cu4 N8 O20 S4P 1 21/c 118.026; 23.45; 22.744
90; 90.299; 90
9614Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku
Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif
Journal of the Chemical Society, Perkin Transactions 2, 1999, 975
7212997 CIFC53 H37 Cl3 Cu2 N4 O6C 1 2 117.198; 14.079; 13.644
90; 112.801; 90
3045.5Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku
Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif
Journal of the Chemical Society, Perkin Transactions 2, 1999, 975
7212999 CIFC16 H12 S4P 1 21/n 111.928; 8.302; 15.736
90; 103.34; 90
1516.2Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal
The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 755
7213000 CIFC28 H16 N4 S4P n m a19.451; 18.738; 6.883
90; 90; 90
2508.7Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal
The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 755
7213001 CIFC28 H14 Br2 N4 S4P -17.848; 10.295; 17.309
77.29; 83.47; 89.59
1355.1Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal
The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 755
7213002 CIFC16 H12 I7 S4P -110.42; 11.263; 13.087
64.76; 78.8; 79.74
1354.9Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal
The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine
Journal of the Chemical Society, Perkin Transactions 2, 1999, 755
7213009 CIFC21 H17 N O4 S4P -14.881; 9.764; 11.582
70.542; 88.603; 85.52
518.86Bueno, B.; Esteve, B.; Irurre, J.; Brillas, E.; Torrelles, X.; Rius, J.; Alvarez-Larena, A.; Piniella, J. F.; Alemán, C.; Juliá, L.
Methyl- and methoxy-substituted di[1,4]benzodithiio[2,3-b:2,3-e]pyridines as new electron donor compounds: synthesis, molecular structure, electrochemical properties, and EPR studies
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1503
7213010 CIFC21 H17 N S4P 1 21/n 18.1; 12.52; 18.733
90; 95.22; 90
1891.9Bueno, B.; Esteve, B.; Irurre, J.; Brillas, E.; Torrelles, X.; Rius, J.; Alvarez-Larena, A.; Piniella, J. F.; Alemán, C.; Juliá, L.
Methyl- and methoxy-substituted di[1,4]benzodithiio[2,3-b:2,3-e]pyridines as new electron donor compounds: synthesis, molecular structure, electrochemical properties, and EPR studies
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1503
7213013 CIFC7 H10 Cl N3 O2P -17.352; 7.357; 8.938
87.39; 100.03; 72.66
452Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline
Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1481
7213014 CIFC12 H13 N3 O3P -16.832; 9.076; 9.679
87.86; 101.21; 88.92
588.1Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline
Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1481
7213015 CIFC13 H13 N3 O2P 1 21/a 112.022; 8.616; 13.244
90; 114.22; 90
1251.1Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline
Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1481
7213019 CIFC10 H16 Si2P 1 21/c 17.3605; 13.2811; 12.3457
90; 90.496; 90
1206.82Haberhauer, Gebhard; Rominger, Frank; Gleiter, Rolf
1,1,2,2-Tetramethyl-1,2-disilacycloocta-3,7-diyne — structure and bonding properties of a highly strained cyclic diyne
Journal of the Chemical Society, Perkin Transactions 2, 1999, 947
7213046 CIFC10 H23 N O4P b c a16.008; 15.932; 9.647
90; 90; 90
2460.4Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław
Conformations of, and NHO hydrogen bond in, piperidine-1-valeric acid and its dihydrate
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1967
7213050 CIFC52 H56 O4C 1 2/c 124.645; 9.058; 19.58
90; 112.52; 90
4037.6Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel
Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1749
7213051 CIFC52 H54 Br2 O4C 1 2/c 130.89; 9.59; 18.151
90; 123.02; 90
4508Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel
Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1749
7213052 CIFC62 H63 N O4P -110.854; 12.946; 19.085
109.39; 98.08; 99.64
2437.8Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel
Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1749
7213053 CIFC64 H62 N2 O4P -113.047; 14.178; 15.207
115.31; 96.69; 95.82
2489.6Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel
Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1749
7213056 CIFC9 H8 N2 O8P -16.006; 9.517; 10.396
78.99; 73.84; 85.86
560.1Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213057 CIFC11 H12 N2 O9P -16.6852; 9.7347; 10.5534
79.468; 80.152; 82.99
662.35Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213058 CIFC11 H12 N2 O9P -19.149; 11.912; 13.318
111.22; 90.13; 101.12
1323Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213059 CIFC9 H4 N2 O8P 1 21/n 111.3053; 6.0266; 16.9126
90; 97.921; 90
1141.3Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213060 CIFC7 H6 N2 O8C 1 2 116.487; 5.8204; 13.462
90; 132.58; 90
951.2Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213061 CIFC11 H14 N2 O8P c a 2110.29; 5.972; 22.928
90; 90; 90
1409Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.
Pseudopolymorphs of 3,5-dinitrosalicylic acid
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1069
7213071 CIFC19 H13 N OP c a 2110.4032; 14.172; 18.893
90; 90; 90
2785.5Noh, Taehee; Jeon, Kyungmoon; Jeong, Youngmee; Jang, Shinho; Min, Kil Sik
Synthesis of 9-cyanophenanthrene‒furan and ‒benzene cyclodimers and their reversion
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1299
7213076 CIFC29 H46 Co N7 O6P 1 21/n 117.537; 16.113; 23.487
90; 94.814; 90
6613Hashizume, Daisuke; Ohashi, Yuji
Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1689
7213077 CIFC30 H48 Co N7 O6P 1 21/n 117.477; 16.439; 23.6056
90; 95.74; 90
6748Hashizume, Daisuke; Ohashi, Yuji
Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1689
7213078 CIFC31 H50 Co N7 O6P 1 21/n 117.556; 16.604; 24.058
90; 95.817; 90
6976.8Hashizume, Daisuke; Ohashi, Yuji
Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1689
7213089 CIFC28 H38 OP 1 21/n 110.945; 25.07; 16.53
90; 104.71; 90
4387Lomas, John S.; Vaissermann, Jacqueline
Competing intermolecular and intramolecular hydride transfers in the ionic hydrogenation of (2-alkoxyphenyl)di(1-adamantyl)methanols †
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1639
7213091 CIFC32 H24R -3 :H28.1031; 28.1031; 7.1509
90; 90; 120
4891Yu, Richeng; Yakimansky, Alexander; Voigt-Martin, Ingrid G.; Fetten, Michael; Schnorpfeil, C.; Schollmeyer, Dieter; Meier, Herbert
Tetrabenzo[ab, f, jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1881
7213102 CIFC18 H20 O5P n m a21.055; 14.453; 5.099
90; 90; 90
1551.7Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213103 CIFC19 H22 O5P 1 21 19.621; 9.499; 10.262
90; 115.39; 90
847.3Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213104 CIFC19 H22 O5C m c 2117.06; 17.922; 5.552
90; 90; 90
1697.5Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213105 CIFC18 H20 O6C 1 2/c 133.139; 5.064; 20.155
90; 108.3; 90
3211.3Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213106 CIFC19 H22 O5P 1 21/c 117.16; 4.877; 21.453
90; 112.64; 90
1657Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213107 CIFC20 H24 O5P 1 21/c 120.295; 8.139; 11.205
90; 101.19; 90
1815.7Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.
Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557
7213109 CIFC15.5 H11.5 Cl1.5 N3 OP 1 21/c 113.0933; 23.0093; 10.3128
90; 111.328; 90
2894.1Murguly, Elisa; Norsten, Tyler B.; Branda, Neil
Tautomerism of 4-hydroxyterpyridine in the solid, solution and gas phases: an X-ray, FT-IR and NMR study
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2789
7213110 CIFC25 H48 Cl N3 O9P 3 1 c15.7087; 15.7087; 7.4783
90; 90; 120
1598.14Lovell, Scott; Marquardt, Brian J.; Kahr, Bart
Crystal violet’s shoulder
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2241
7213111 CIFC25 H32 Cl N3 OP 1 21/c 110.1887; 21.4842; 21.2594
90; 94.374; 90
4640Lovell, Scott; Marquardt, Brian J.; Kahr, Bart
Crystal violet’s shoulder
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2241
7213113 CIFC12 H20 Si2C 2 2 2110.1723; 10.502; 12.964
90; 90; 90
1384.94Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213114 CIFC13 H22 Si2C 1 2/c 113.363; 10.52; 11.258
90; 111.82; 90
1469.2Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213115 CIFC14 H24 Si2P 1 21/c 110.426; 12.3151; 13.0649
90; 110.448; 90
1571.8Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213116 CIFC15 H26 Si2P -110.268; 11.346; 8.679
111.72; 113.95; 70.04
836.4Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213117 CIFC14 H28 Si4P 1 21/c 111.139; 14.468; 12.472
90; 97.34; 90
1993.5Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213118 CIFC15 H30 Si4P -111.725; 12.678; 8.391
92.44; 110.73; 65.26
1051.3Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213119 CIFC16 H32 Si4P 1 21/c 18.331; 21.336; 12.51
90; 100.58; 90
2185.9Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank
Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2093
7213122 CIFC23 H28 Cl2 N4 O14P 21 21 2115.127; 17.123; 11.304
90; 90; 90
2928Kuhl, Ulrich; Cambareri, Antonella; Sauber, Christian; Sörgel, Fritz; Hartmann, Rudolf; Euler, Harald; Kirfel, Armin; Holzgrabe, Ulrike
Synthesis, X-ray analysis and spectroscopic characterization of the hemiaminal cyclization product from 2,4-dipyridine substituted 3,7-diazabicyclo[3.3.1]nonanone 1,5-diesters
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2083
7213123 CIFC23 H32 O6P 1 21/n 118.3529; 6.4184; 19.1454
90; 93.695; 90
2250.6Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji
Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2077
7213124 CIFC23 H32 O6P -112.6745; 18.0319; 19.994
84.929; 72.592; 89.799
4341.9Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji
Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2077
7213125 CIFC20 H26 O6P -112.3657; 13.0496; 13.4977
61.992; 76.774; 88.767
1862.61Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji
Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2077
7213126 CIFC20 H27 N O5P b c n24.3829; 9.896; 15.7266
90; 90; 90
3794.7Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji
Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2077
7213128 CIFC18 H18 Cl2 N2 O4P 1 21/c 18.1227; 10.188; 22.116
90; 91.45; 90
1829.6Glover, Stephen A.; Mo, Guoning; Rauk, Arvi; Tucker, David J.; Turner, Peter
Structure, conformation, anomeric effects and rotational barriers in the HERON amides, N,N ′-diacyl-N,N ′-dialkoxyhydrazines
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2053
7213136 CIFC20 H18 O4P 1 21/c 19.497; 8.421; 10.087
90; 95.91; 90
802.41Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo
Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2029
7213137 CIFC26 H32 N2 O4P 1 21 110.118; 10.114; 11.853
90; 104.2; 90
1175.9Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo
Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2029
7213150 CIFC26 H36 O2P -16.663; 11.047; 15.062
68.89; 87.16; 80.26
1019.3Lomas, John S.; Lacroix, Jean-Christophe; Vaissermann, Jacqueline
Rotation barriers in aryl- and heteroaryldi(1-adamantyl)methyl systems; the ionic hydrogenation of heteroaryldi(1-adamantyl)methanols
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2001
7213152 CIFC64 H76 Cl N14 Na O5P 21 21 2112.0573; 14.6746; 34.231
90; 90; 90
6056.7Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David; Peacock, Robert D.; Siligardi, Giuliano
Chiroptical features and luminescence behaviour of macrocyclic tetra(4-quinolyl)-complexes: surprising absence of exciton coupling
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2415
7213161 CIFC15 H39 Br N4 O4P 3 c 18.5328; 8.5328; 33.241
90; 90; 120
2096Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Søtofte, Inger
Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2701
7213172 CIFC11 H12 F N O3P 21 21 29.366; 16.003; 7.598
90; 90; 90
1138.8Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles
The preferred conformation of α-fluoroamides
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2409
7213173 CIFC12 H15 N O3P 21 21 215.754; 8.139; 24.873
90; 90; 90
1164.8Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles
The preferred conformation of α-fluoroamides
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2409
7213174 CIFC9 H10 F N OP 15.367; 8.821; 9.893
106.65; 101.84; 105.13
412.8Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles
The preferred conformation of α-fluoroamides
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2409
7213176 CIFC14 H36 Br4 N4 OP 1 21 17.99; 15.168; 9.7127
90; 106.69; 90
1127.5Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana
Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative
Journal of the Chemical Society, Perkin Transactions 2, 2000, 899
7213177 CIFC14 H32 Cl2 N4 O8P 18.033; 8.268; 18.029
100.01; 94.67; 116.89
1034.1Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana
Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative
Journal of the Chemical Society, Perkin Transactions 2, 2000, 899
7213178 CIFC14 H16 Cl N O2P 1 21 17.5589; 9.3566; 9.4213
90; 96.521; 90
662.02Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi
NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2011
7213179 CIFC18 H22 Cl N O2P b c a26.623; 11.443; 10.698
90; 90; 90
3259.1Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi
NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2011
7213180 CIFC18 H20 Cl N O2P 1 21/c 18.941; 12.749; 15.113
90; 105.06; 90
1663.5Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi
NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2011
7213181 CIFC19 H20 Cl N O2P 1 21/c 18.754; 16.647; 11.575
90; 103.47; 90
1640.4Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi
NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2011
7213182 CIFC19 H20 Cl N O2P 1 21/n 18.64; 10.747; 17.657
90; 90.853; 90
1639.3Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi
NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2011
7213183 CIFC7 H6 O3P 1 21 13.78; 7.621; 10.581
90; 90.2; 90
304.81Sarma, Jagarlapudi A. R. P.; Nagaraju, Akula; Majumdar, Kanak K.; Samuel, Purnima M.; Das, Indira; Roy, Sujit; McGhie, Alistair J.
Solid state nuclear bromination with N-bromosuccinimide. Part 2. Experimental and theoretical studies of reactions with some substituted benzaldehydes †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1119
7213184 CIFC53 H114 O54C 1 2 119.513; 24.024; 16.414
90; 104.49; 90
7450Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.
Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1095
7213185 CIFC22 H20 O4P 1 21 19.733; 15.587; 5.722
90; 99.184; 90
856.947Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.
Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1095
7213186 CIFC104 H200 O98P 118.01; 15.53; 15.37
103.35; 113.22; 99.46
3684Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.
Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1105
7213187 CIFC104 H200 O98P 118.133; 15.479; 15.401
102.9; 113.35; 99.53
3709.4Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.
Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1105
7213188 CIFC44 H40 N2 O3P 21 21 219.525; 14.705; 24.448
90; 90; 90
3424.3Barton, Benita; Caira, Mino R.; McCleland, Cedric W.; Taljaard, Benjamin
Synthesis of N,N′-bis(9-phenylxanthen-9-yl)ethylenediamine and an investigation of its host‒guest inclusion potential
Journal of the Chemical Society, Perkin Transactions 2, 2000, 865
7213189 CIFC32 H34 O5P 21 21 2110.703; 12.29; 21.49
90; 90; 90
2826.8ysek, Robert; Krajewski, Piotr; Urbańczyk-Lipkowska, Zofia; Furman, Bartłomiej; Kałuża, Zbigniew; Kozerski, Lech; Chmielewski, Marek
Conformation of chiral alkoxyallenes by proton NMR spectroscopy
Journal of the Chemical Society, Perkin Transactions 2, 2000, 61
7213191 CIFC12 H14 Cl2P 1 21/n 19.0585; 8.2339; 14.66
90; 99.398; 90
1078.8van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland
Structures and strain energies of small [n]metacyclophanes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 793
7213192 CIFC12 H14 Cl2P -18.9226; 11.207; 12.067
111.422; 92.306; 95.988
1113.2van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland
Structures and strain energies of small [n]metacyclophanes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 793
7213200 CIFC60 H80 N4 O6I 1 2/c 122.32; 21.09; 22.89
90; 94.583; 90
10741Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate
Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors
Journal of the Chemical Society, Perkin Transactions 2, 2000, 511
7213201 CIFC61 H72 N4 O5P -110.442; 13.208; 23.11
72.321; 85.089; 73.503
2912Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate
Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors
Journal of the Chemical Society, Perkin Transactions 2, 2000, 511
7213202 CIFC56 H74 Cl4 N3 O10P -111.197; 14.68; 17.61
90.17; 97.249; 92.823
2868Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate
Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors
Journal of the Chemical Society, Perkin Transactions 2, 2000, 511
7213203 CIFC76 H40 N6 O6P n m a28; 15.619; 13.818
90; 90; 90
6043Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate
Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors
Journal of the Chemical Society, Perkin Transactions 2, 2000, 511
7213204 CIFC8 H14 N2 O2P n m a10.0872; 11.797; 7.7925
90; 90; 90
927.3Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.
Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 501
7213205 CIFC10 H18 N2 O2P -17.1363; 7.2813; 11.6544
87.8805; 72.1948; 82.7986
572.03Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.
Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 501
7213206 CIFC29 H37 N O3P 1 21/n 114.904; 10.051; 17.289
90; 98.12; 90
2563.9Busfield, W. Ken; Byriel, Karl A.; Grice, I. Darren; Jenkins, Ian D.; Lynch, Daniel E.
The stereoselectivity of addition of benzoyloxyl radicals to trans-Δ2-octalin
Journal of the Chemical Society, Perkin Transactions 2, 2000, 757
7213208 CIFC33 H31 Cl3 O4P 1 21/n 121.396; 5.699; 24.09
90; 94.45; 90
2929Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid
Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1053
7213209 CIFC32 H30 O4P 1 21 111.431; 6.047; 18.286
90; 96.69; 90
1255.4Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid
Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1053
7213210 CIFC16 H22 O SP 21 21 215.73; 12.176; 20.499
90; 90; 90
1430.2Hoffmann, Reinhard W.; Koberstein, Ralf
Chiral organometallic reagents. Part XXV.1 The stereochemistry of the ring opening of cyclopropylallyllithium compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 595
7213211 CIFC18 H15 N OP 1 21/n 17.354; 12.314; 29.346
90; 90.488; 90
2657.4Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard
Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259
7213212 CIFC18 H15 N OP 1 21/c 17.2831; 14.4511; 12.5032
90; 90.693; 90
1315.85Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard
Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259
7213213 CIFC18 H15 N OP 1 21/c 17.3719; 14.455; 12.5837
90; 90.736; 90
1340.82Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard
Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259
7213214 CIFC17 H12 F N OP 21 21 215.903; 7.652; 28.437
90; 90; 90
1284.5Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard
Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259
7213215 CIFC17 H12 Br N OP c 21 b4.47; 12.388; 24.375
90; 90; 90
1349.8Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard
Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259
7213217 CIFC8 H20 N6 S2C 1 c 19.68; 7.87; 18.254
90; 95.27; 90
1384.7Yutronic, Nicolás; Manriquez, Victor; Jara, Paul; Witke, Oscar; Merchán, Juan; González, Guillermo
Bis(thiourea)-1,2-diazabicyclo[2.2.2]octane. A new layered thiourea inclusion compound
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1757
7213218 CIFC28 H18 N2 O2P -19.093; 14.257; 8.389
93.42; 107.21; 84.84
1034Greci, Lucedio; Tommasi, Giampaolo; Astolfi, Paola; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara
Radical cations: reactions of 2-phenylindole with aromatic amines under anodic oxidation. β-Scission of an amino alkoxy radical
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1749
7213219 CIFC18 H27 N O2 SP 1 21 19.392; 10.962; 17.823
90; 94.29; 90
1829.8Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian
Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation
Journal of the Chemical Society, Perkin Transactions 2, 2000, 913
7213220 CIFC18 H27 N O2 SP 1 21/c 111.313; 17.082; 19.324
90; 101.11; 90
3664.4Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian
Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation
Journal of the Chemical Society, Perkin Transactions 2, 2000, 913
7213226 CIFC14 H10 N2 O4P 1 21/c 19.637; 15.251; 9.109
90; 96.86; 90
1329.2Liu, You-Cheng; Wang, Hong-Yi; Yang, Qing-Chuan; Mak, Thomas C. W.
Mechanism of reduction of 1,1-diphenyl-2,2-dinitroethylene by 1-benzyl-1,4-dihydronicotinamide: transition state with partial diradical and partial covalent bonding character
Journal of the Chemical Society, Perkin Transactions 2, 2000, 649
7213237 CIFC30 H25 O2P -17.327; 9.042; 18.534
88.09; 85.07; 68.07
1134.8Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213238 CIFC29 H22.5 Cl0.5 O2P -17.31; 8.994; 18.454
89.19; 85.75; 68.23
1123.5Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213239 CIFC30 H25 O2P -17.329; 9.044; 18.547
88.54; 85.33; 67.63
1133.1Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213240 CIFC30 H25 O2P -17.368; 9.01; 18.522
88; 84.97; 67.94
1135.2Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213241 CIFC30 H25 O2P -17.241; 9.011; 18.916
84.25; 87.25; 66.66
1127.5Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213242 CIFC29.5 H24 O2.5P -17.31; 8.998; 18.464
89.98; 86.26; 67.5
1119.2Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213243 CIFC35 H32 O2P -17.39; 13.637; 14.349
75.92; 81.64; 85.16
1385.9Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213244 CIFC29 H22.5 Br0.5 O2P -17.3066; 8.9943; 18.4963
89.764; 85.946; 67.868
1122.82Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213245 CIFC29 H22.5 N0.5 O3P -17.34; 8.982; 18.366
89.33; 86.14; 67.55
1116.4Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213246 CIFC26 H20 O2P b c a7.39; 15.477; 33.858
90; 90; 90
3872.5Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223
7213248 CIFC31 H51 N5 O9P 1 21 110.08; 17.853; 10.185
90; 107.8; 90
1745.1Lapeña, Yolanda; Lopez, Pilar; Cativiela, Carlos; Kaptein, Bernard; Broxterman, Quirinus B.; Kamphuis, Johan; Mossel, Eric; Peggion, Cristina; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio
Comparative conformational analysis of peptides based on the two Cα-tetrasubstituted, Cβ-branched, chiral α-amino acids (αMe)Dip and (αMe)Val †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 631
7213252 CIFC85.5 H108 B F4 N2 Na O8 P2P 1 21/c 127.739; 24.1268; 12.294
90; 92.051; 90
8222.5Baaden, Marc; Wipff, Georges; Yaftian, Mohamed Reza; Burgard, Michel; Matt, Dominique
Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1315
7213255 CIFC9 H8 F N3 O5P 1 21/n 110.114; 4.824; 20.996
90; 93.6; 90
1022.4O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J.
The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect
Journal of the Chemical Society, Perkin Transactions 2, 2000, 605
7213256 CIFC9 H9 F N2 O3P n a 219.9569; 20.4211; 4.6421
90; 90; 90
943.88O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J.
The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect
Journal of the Chemical Society, Perkin Transactions 2, 2000, 605
7213266 CIFC8 H9 N O2P -16.855; 7.551; 14.622
80.66; 88.46; 87.17
745.78Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre
Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 935
7213267 CIFC13 H10 N2 O4P -17.005; 7.18; 12.018
83.21; 79.16; 72.66
565.44Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre
Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 935
7213268 CIFC15 H16 N2 O2P 1 21/c 110.246; 6.106; 20.863
90; 90.42; 90
1305.2Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre
Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study
Journal of the Chemical Society, Perkin Transactions 2, 2000, 935
7213273 CIFC26 H34 Ca Cl2 N6 O16P n a 2123.1803; 10.1436; 14.6585
90; 90; 90
3446.7Szumna, Agnieszka; Gryko, Daniel T.; Jurczak, Janusz
Calcium complexes of macrocyclic lactams: their structure and calcium induced conformational changes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1553
7213281 CIFC10 H12 O2P 1 21/n 17.8726; 5.358; 18.8596
90; 93.633; 90
793.93Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka
7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483
7213282 CIFC10 H12 O2P 1 21/a 16.517; 18.98; 6.754
90; 107.16; 90
798.2Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka
7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483
7213288 CIFC8 Cl6 O2 S2P 1 21/a 17.341; 13.56; 7.471
90; 118.44; 90
653.9Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul
Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1453
7213289 CIFC27 H21 N3C 1 2/c 122.465; 8.017; 21.376
90; 100.1; 90
3790.2Greci, Lucedio; Tommasi, Giampaolo; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara; Alberti, Angelo
Oxidative trimerization of indole: on the formation of dications and radical cations by reaction of indole and nitrosobenzene in the presence of acids
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2337
7213292 CIFC9 H15 N6 O2P 1 21/c 19.6167; 14.6927; 16.5683
90; 94.11; 90
2335Daro, Nathalie; Sutter, Jean-Pascal; Pink, Maren; Kahn, (the late) Olivier
Concomitant ferro- and antiferromagnetic interactions in an H-bonded molecular ribbon duplex
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1087
7213293 CIFC14 H14 N2 O2P 1 21 17.776; 5.832; 14.092
90; 97.65; 90
633.4Bhat, J. Ishwara; Clegg, William; Maskill, Howard; Elsegood, Mark R. J.; Menneer, Iain D.; Miatt, Peter C.
N-Nitroso-N,O-dialkylhydroxylamines: preparation, structure, and mechanism of the hydronium ion catalysed solvolytic nitrous oxide extrusion reaction
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1435
7213294 CIFC41 H59 N7 O15 S2C 1 2 123.4127; 7.1091; 14.806
90; 108.146; 90
2341.8Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213295 CIFC42 H58 N6 O15 S2C 1 2 123.471; 7.1215; 14.9304
90; 108.268; 90
2369.8Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213296 CIFC42 H60 N8 O15 S2C 1 2 123.0227; 7.1467; 14.5544
90; 104.644; 90
2316.94Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213297 CIFC42 H58 N6 O14.5 S2C 1 2 123.4584; 7.1179; 14.8922
90; 108.571; 90
2357.14Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213298 CIFC44 H57 N6 O13.5 S2C 1 2 123.3855; 7.1965; 14.7588
90; 108.58; 90
2354.36Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213299 CIFC42 H56 N6 O19 S2P 21 21 217.0902; 21.273; 31.004
90; 90; 90
4676.3Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213300 CIFC42 H60 N6 O21 S2P 21 21 217.1079; 21.863; 32.306
90; 90; 90
5020.4Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Induced fit phenomena in clathrate structures of cephalosporins
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425
7213314 CIFC17 H25 N2 O2P 1 21/c 17.5297; 22.131; 9.9543
90; 105.622; 90
1597.5Nakatsuji, Shin’ichi; Ogawa, Yuya; Takeuchi, Soichi; Akutsu, Hiroki; Yamada, Jun-ichi; Naito, Akira; Sudo, Kyoko; Yasuoka, Noritake
Novel photo-responsive organic spin systems: preparation and properties of norbornadienes and spiropyrans with TEMPO radical substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1969
7213322 CIFC26 H32 B NC 1 2/c 128.728; 9.713; 16.997
90; 105.95; 90
4560Albrecht, Karsten; Kaiser, Volker; Boese, Roland; Adams, Jörg; Kaufmann, Dieter E.
Synthesis and properties of fluorescent organoboranes: triarylmethane-type dyes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2153
7213323 CIFC26 H36 O2 SP -16.804; 11.122; 15.139
70.85; 86.12; 79.57
1064.3Lomas, John S.; Vauthier, Edouard; Vaissermann, Jacqueline
Trifluoroacetylation and ionic hydrogenation of [2-(3-alkoxythienyl)]di(1-adamantyl)methanols †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1399
7213328 CIFC21 H20 Cl2 F N OP 1 21/c 113.806; 14.761; 9.618
90; 92.77; 90
1957.8Ooms, Frédéric; Delvosal, Sébastien; Wouters, Johan; Durant, François; Dockendolf, Gisella; Van’t Land, Clinton; Glass, Thomas; Castagnoli, Jr, Neal; Van der Schyf, Cornelis J.
Empirical and molecular modeling study of the pyridinium species RHPP+, an abundant and potentially neurotoxic metabolite of haloperidol
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1781
7213329 CIFC56 H58 Br2 O4C 1 2/c 125.7135; 9.5232; 19.8894
90; 105.57; 90
4691.68Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213330 CIFC72 H87 N5 O8P -113.062; 13.325; 20.365
96.75; 93.04; 110.93
3270.4Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213331 CIFC54 H69 N5 O8P -110.754; 12.014; 21.851
100.97; 96.83; 110.11
2550Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213332 CIFC57 H66 Br2 Cl2 N2 O8C 1 2/c 124.817; 25.026; 17.854
90; 99.88; 90
10924Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213333 CIFC53 H73 Br2 Cl2 N3 O8P 43 21 217.865; 17.865; 17.263
90; 90; 90
5509.6Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213334 CIFC51.5 H70.5 Br2 Cl N2.5 O8P b c a17.394; 23.82; 27.882
90; 90; 90
11552Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213335 CIFC42 H46 Br2 O8P 1 21/n 112.505; 24.822; 12.722
90; 94.8; 90
3935Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213336 CIFC54 H56 N4 O8P 1 21/n 122.391; 13.024; 33.539
90; 97.64; 90
9694Krebs, Frederik C.; Jørgensen, Mikkel
Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935
7213337 CIFC13 H16 N O3P 21 21 217.9732; 10.1799; 15.57
90; 90; 90
1263.8Bottle, Steven E.; Gillies, Duncan G.; Hughes, David L.; Micallef, Aaron S.; Smirnov, Alex I.; Sutcliffe, Leslie H.
Synthesis, single crystal X-ray structure and W-band (95 GHz) EPR spectroscopy of a new anionic isoindoline aminoxyl: synthesis and characterisation of some derivatives
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1285
7213346 CIFC14 H15 F6 N2 O3 PP -17.5078; 10.7748; 11.3584
89.381; 72.055; 79.252
857.73Lindeman, Sergey V.; Bosch, Eric; Kochi, Jay K.
Electrophilic aromatic nitrosation. Isolation and X-ray crystallography of the metastable NO+ complex with nitrosoarene
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1919
7213350 CIFC18 H25 N O6 SP 21 21 2117.527; 15.29; 6.912
90; 90; 90
1852.3Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi
Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121
7213351 CIFC18 H25 N O6 SC 1 2 124.943; 7.053; 11.366
90; 103.39; 90
1945.2Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi
Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121
7213352 CIFC8 H10 Cl N O2P 21 21 217.261; 22.781; 5.438
90; 90; 90
899.5Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi
Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121
7213358 CIFC26 H16 Cl4P c c n15.9253; 15.9655; 17.882
90; 90; 90
4546.59Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213359 CIFC26 H16 I4P 1 21/n 19.648; 16.605; 15.81
90; 97.61; 90
2510.5Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213360 CIFC34 H26 Cl4P 21 21 218.635; 14.707; 22.891
90; 90; 90
2907Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213361 CIFC34 H32 Br4 O2P 21 21 219.3337; 15.1835; 21.9443
90; 90; 90
3109.91Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213362 CIFC38 H31 F4P -19.175; 9.522; 17.79
91.15; 97.65; 104.15
1491.4Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213363 CIFC30 H30 O7P -110.343; 10.887; 13.918
103.65; 91.19; 117.64
1333.6Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115
7213371 CIFC20 H30C 1 2/c 19.2428; 9.0959; 18.4539
90; 103.634; 90
1507.7Rathore, Rajendra; Zhu, Chengjian; Lindeman, Sergey V.; Kochi, Jay K.
Spontaneous oxidation of organic donors to their cation radicals using Brønsted acids. Identification of the elusive oxidant †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1837
7213374 CIFC20 H22 S4P 1 21/c 115.489; 7.7878; 15.793
90; 101.341; 90
1867.84Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping
Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2090
7213375 CIFC18 H18 O4P 1 21/n 16.0592; 6.9442; 17.666
90; 94.023; 90
741.49Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping
Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2090
7213378 CIFC10 H8 N4 O2P -16.231; 8.198; 10.3
99.17; 95.29; 106.63
492.4Gowenlock, Brian G.; Maidment, Mark J.; Orrell, Keith G.; Šik, Vladimir; Mele, Giuseppe; Vasapollo, Giuseppe; Hursthouse, Michael B.; Abdul Malik, K. M.
The solid- and solution-state structures of 2-nitrosopyridine and its 3- and 4-methyl derivatives
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2280
7213385 CIFC6 H4 N4 O4 SP n a 2116.318; 10.782; 10.295
90; 90; 90
1811.3Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos
Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798
7213386 CIFC8 H7 N3 O3 SP -17.083; 7.309; 10.28
97.73; 108.7; 100.06
485.88Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos
Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798
7213387 CIFC7 H7 N3 O3 SP 1 21/c 15.174; 10.727; 16.762
90; 94.22; 90
927.8Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos
Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798
7213388 CIFC6 H4 N4 O4 SP 1 21/c 17.908; 14.572; 8.238
90; 106.59; 90
909.79Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos
Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798
7213389 CIFC10 H9 Fe N3 O2 SP 1 21/n 15.984; 35.194; 10.795
90; 92.29; 90
2271.6Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos
Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798
7213391 CIFC9 H7 N3 O SP -16.6773; 8.191; 9.319
71.48; 79.503; 73.308
460.6Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.
15N NMR and crystal structure studies of 5-(2-pyridylmethylene)pseudothiohydantoin;† dipolar dephasing experiments for establishing the preferred tautomer in the solid and solution states
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2265
7213396 CIFC48 H30 N2 O Se2P -112.638; 14.765; 10.037
94.23; 100.79; 108.72
1724.3Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru
Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1788
7213397 CIFC49 H31 Cl3 N2 S3P 1 21/n 112.66; 11.36; 29.16
90; 95.51; 90
4174Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru
Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1788
7213398 CIFC13 H18 Br N2P 1 21/c 120.8303; 18.8385; 28.3817
90; 152.539; 90
5135.9Claramunt, Rosa María; López, Concepción; García, María de los Angeles; Pierrot, Marcel; Giorgi, Michel; Elguero, José
3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2049
7213402 CIFC20 H20 N2 O8P 1 21/n 18.982; 12.471; 9.086
90; 92.91; 90
1016.5Kujanpää, Jukka P.; Riddell, Frank G.
Models for molecular motions within polymer chains. Part 1. A solid-state NMR study of hexane-1,6-diyl bis( p-nitrobenzoate)
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2225
7213414 CIFC6 H15 O5 P SP 1 21/a 110.074; 8.357; 13.991
90; 108.46; 90
1117.3Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe
Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1
Journal of the Chemical Society, Perkin Transactions 2, 2001, 97
7213415 CIFC41 H58 N7 O15.5 S2C 1 2 123.443; 7.0872; 14.896
90; 108.61; 90
2345.5Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne
Efficiency of cephalosporin complexation with aromatic compounds
Journal of the Chemical Society, Perkin Transactions 2, 2001, 633
7213420 CIFC30 H24 O6P -113.7018; 14.3753; 14.4362
108.261; 107.53; 103.187
2406.02Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.
Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458
7213421 CIFC30 H18 N3 O9P -110.3402; 10.4427; 13.4887
87.854; 80.536; 64.23
1292.8Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.
Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458
7213422 CIFC30 H21 N3 O10P -18.8361; 10.4985; 15.1193
80.305; 85.321; 80.857
1362.79Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.
Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458

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