Crystallography Open Database

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7201788 CIFC20 H12 O8P 1 21/n 111.3948; 5.97016; 12.4931
90; 112.859; 90
783.15Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.
Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid
CrystEngComm, 2008, 10, 573
7201789 CIFC21 H29 N O7 SP 21 21 215.4997; 13.5883; 30.125
90; 90; 90
2251.3Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard
Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base
CrystEngComm, 2008, 10, 724
7201790 CIFC42 H33 Cl2 N O5P 1 21 18.2078; 24.8368; 9.4738
90; 111.853; 90
1792.51Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201791 CIFC47 H49 N O6P 1 21 19.4204; 41.0982; 10.1701
90; 91.8046; 90
3935.52Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201792 CIFC54 H48 N2 O8P 1 21/n 16.201; 26.667; 14.197
90; 105.012; 90
2267.5Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201793 CIFC30 H27 N O5P 1 21/c 113.6505; 18.1949; 10.6107
90; 105.147; 90
2543.8Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201794 CIFC39 H37 N O4P 1 21/c 19.7197; 20.9418; 15.7092
90; 99.747; 90
3151.42Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201795 CIFC54 H48 N2 O8P 1 21/c 15.954; 27.507; 13.705
90; 94.731; 90
2236.91Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201796 CIFC47 H49 N O6P 1 21 19.4158; 40.9669; 10.249
90; 91.7547; 90
3951.56Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201797 CIFC39 H37 N O4P 1 21/c 19.784; 20.538; 15.533
90; 100.602; 90
3068Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
CrystEngComm, 2008, 10, 734
7201798 CIFC6 H5 N O3F d d 239.698; 48.359; 3.8476
90; 90; 90
7386Barsky, Inna; Bernstein, Joel
Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide
CrystEngComm, 2008, 10, 669
7201799 CIFC6 H5 N O3P 1 21 13.7455; 7.257; 11.424
90; 95.881; 90
308.9Barsky, Inna; Bernstein, Joel
Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide
CrystEngComm, 2008, 10, 669
7201800 CIFC72 H48 Co2 Cu11 I15 N12P -111.6555; 14.5125; 14.5394
76.216; 71.198; 81.153
2253.12Tershansy, Meredith A.; Goforth, Andrea M.; Ellsworth, Joseph M.; Smith, Mark D.; zur Loye, Hans-Conrad
[Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5− and [Cu12I15]3− clusters
CrystEngComm, 2008, 10, 833
7201802 CIFC195 H232 N16 O24 S4P -119.044; 23.3714; 24.3644
102.521; 104.366; 110.736
9252.5Bolte, Michael; Thondorf, Iris; Böhmer, Volker; Rudzevich, Valentyn; Rudzevich, Yuliya
Heterodimeric capsules formed by tetratosyl and tetratolyl urea calix[4]arenes
CrystEngComm, 2009
7201803 CIFC6 H13 N3 O11 P2 Zn2P -18.601; 9.0012; 9.908
84.754; 83.338; 74.795
733.73Zhao, Lang; Li, Jiyang; Chen, Peng; Dong, Zhaojun; Yu, Jihong; Xu, Ruren
(C6H10N3O2)Zn2(HPO4)(PO4)·H2O: An inorganic network with biofunctional amino acid dl-histidine molecules
CrystEngComm, 2008, 10, 497
7201804 CIFC24 H30 N2 O8P -19.1871; 10.5741; 12.596
81.281; 88.918; 86.256
1206.87Haynes, Delia A.; Pietersen, Lauren K.
Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid
CrystEngComm, 2008, 10, 518
7201805 CIFC24 H34 N2 O8P -19.3231; 10.8304; 12.703
80.931; 86.268; 88.868
1263.88Haynes, Delia A.; Pietersen, Lauren K.
Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid
CrystEngComm, 2008, 10, 518
7201806 CIFC10 H11 N O4P -19.2426; 10.3797; 10.4421
83.59; 89.104; 85.167
991.9Haynes, Delia A.; Pietersen, Lauren K.
Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid
CrystEngComm, 2008, 10, 518
7201807 CIFC19 H13 Br3 OP 21 21 218.767; 10.911; 18.319
90; 90; 90
1752.34Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.
OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols
CrystEngComm, 2008, 10, 715
7201808 CIFC19 H13 I3 OP 21 21 218.83; 11.2826; 19.1611
90; 90; 90
1908.93Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.
OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols
CrystEngComm, 2008, 10, 715
7201809 CIFC20 H15 Cl2 I3 OA b m 212.2182; 20.479; 8.5939
90; 90; 90
2150.34Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.
OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols
CrystEngComm, 2008, 10, 715
7201810 CIFC22 H16 I3 OP -16.4517; 12.7694; 13.9219
105.763; 100.976; 96.771
1066.01Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.
OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols
CrystEngComm, 2008, 10, 715
7201811 CIFC4 H13 Cu O9P 1 21/n 17.067; 14.125; 10.167
90; 93.27; 90
1013.2Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201812 CIFC8 H20 Ni2 O15F d d 228.016; 28.192; 8.097
90; 90; 90
6395Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201813 CIFC4 H6 O6.5 ZnP c c a13.908; 8.409; 13.042
90; 90; 90
1525.3Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201814 CIFC14 H13 Mn N2 O5P -17.702; 9.705; 10.387
79.397; 72.326; 68.933
687.9Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201815 CIFC16 H13 Mn N2 O5P -17.655; 9.7; 11.09
84.068; 70.758; 68.703
724.2Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201816 CIFC18 H22 N4 O6.5 ZnP 1 21/c 111.268; 13.002; 14.379
90; 101.938; 90
2061.1Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201817 CIFC11 H12 N2 O5 ZnP 1 21/c 110.758; 7.158; 16.4
90; 98.922; 90
1247.6Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201818 CIFC14 H19 N4 O5 ZnP 1 21/n 18.4244; 17.647; 11.247
90; 104.33; 90
1620Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201819 CIFC14 H19 Co N4 O5P 1 21/n 18.348; 17.557; 11.288
90; 103.519; 90
1609Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
CrystEngComm, 2008, 10, 894
7201821 CIFC66 H66 N12 O18 Pd3P -3 1 c22.9258; 22.9258; 19.46
90; 90; 120
8857.7Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
Flattened trigonal bipyramidal coordination assembly with trans geometry
CrystEngComm, 2008, 10, 276
7201822 CIFC66 H66 N12 O18 Pd3P -3 1 c22.64; 22.64; 19.219
90; 90; 120
8531.3Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
Flattened trigonal bipyramidal coordination assembly with trans geometry
CrystEngComm, 2008, 10, 276
7201823 CIFC10 H10 RuP n m a7.0121; 8.8234; 12.7646
90; 90; 90
789.753Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A.
Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives
CrystEngComm, 2008, 10, 827
7201824 CIFC16 H12 Cd N2 O4P 1 21/n 19.105; 12.948; 13.991
90; 91.51; 90
1648.8Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.
Designed self-assembly of a reactive metal‒organic framework with quasi α-Po topology
CrystEngComm, 2008, 10, 817
7201825 CIFC31 H52 N2 O11 P2P n a 2116.6305; 16.7308; 24.0702
90; 90; 90
6697.3Bilge, Selen; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Zeynel; Rutherford, John S.; Shaw, Robert A.
Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z′ = 2)
CrystEngComm, 2008, 10, 873
7201827 CIFC39 H54 N8 O19 Zn3P 1 21/c 112.2422; 19.391; 23.0235
90; 110.618; 90
5115.4Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming
Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units
CrystEngComm, 2008, 10, 753
7201828 CIFC42 H56 Cd3 N8 O20.5C 1 2/c 134.622; 10.432; 18.032
90; 100.95; 90
6394Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming
Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units
CrystEngComm, 2008, 10, 753
7201829 CIFC4 D2 N2 O4P 21 21 215.82141; 5.8545; 13.85255
90; 90; 90
472.115Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K.
Alloxan—a new low-temperature phase determined by neutron powder diffraction
CrystEngComm, 2008, 10, 465
7201830 CIFC10 H10 N4 OP 1 21/n 111.663; 6.008; 13.328
90; 92.231; 90
933.2Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail
Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds
CrystEngComm, 2008, 10, 490
7201831 CIFC14 H17 N5 OP c a b9.386; 11.4412; 27.4207
90; 90; 90
2944.6Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail
Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds
CrystEngComm, 2008, 10, 490
7201832 CIFC10 H10 N4 OP 1 21/c 111.663; 6.008; 17.365
90; 129.922; 90
933.2Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail
Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds
CrystEngComm, 2008, 10, 490
7201833 CIFC14 H17 N5 OP b c a11.4412; 9.386; 27.4207
90; 90; 90
2944.6Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail
Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds
CrystEngComm, 2008, 10, 490
7201841 CIFC26 H22 N4 O6 S2P 1 21/n 17.577; 11.0722; 15.26
90; 90.809; 90
1280.1Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
Solid state structural studies of saccharin salts with some heterocyclic bases
CrystEngComm, 2008, 10, 996
7201842 CIFC26 H20 N4 O6 S2P 1 21/n 113.161; 5.251; 18.59
90; 106.828; 90
1229.7Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
Solid state structural studies of saccharin salts with some heterocyclic bases
CrystEngComm, 2008, 10, 996
7201843 CIFC18 H20 N4 O6 S2P 1 21/c 111.1261; 9.3971; 9.6281
90; 99.489; 90
992.87Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
Solid state structural studies of saccharin salts with some heterocyclic bases
CrystEngComm, 2008, 10, 996
7201844 CIFC20 H24 N4 O6 S2P 1 21/c 17.973; 15.413; 9.293
90; 104.555; 90
1105.3Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
Solid state structural studies of saccharin salts with some heterocyclic bases
CrystEngComm, 2008, 10, 996
7201845 CIFC17 H14 N4 O3 SP -19.635; 13.385; 14.149
105.658; 91.773; 110.444
1630.4Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
Solid state structural studies of saccharin salts with some heterocyclic bases
CrystEngComm, 2008, 10, 996
7201846 CIFC16 H14 Cu I N2 S3P -18.3397; 10.5367; 11.5415
71.781; 72.749; 78.765
914.16Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying
Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand
CrystEngComm, 2008, 10, 590
7201847 CIFC39 H36 Cu2 I2 N4 S6P -110.0063; 14.6856; 15.2104
88.738; 80.324; 81.463
2178.9Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying
Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand
CrystEngComm, 2008, 10, 590

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