Crystallography Open Database

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2022096 CIF
HKL
Paper
C26 H19 F4 I2 N3P 1 21/n 17.2512; 20.6215; 17.1906
90; 101.166; 90
2521.9Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022097 CIF
HKL
Paper
C20 H13 F4 I2 N3P 1 21/c 19.0191; 26.805; 9.5664
90; 112.052; 90
2143.6Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022098 CIF
HKL
Paper
C13 H16 N2 OP 1 21/n 16.091; 17.016; 10.707
90; 90.581; 90
1109.7Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.
Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones
Acta Crystallographica Section C, 2020, 76
2022099 CIF
HKL
Paper
C14 H18 N2 OP 1 21/n 110.143; 11.703; 10.776
90; 107.84; 90
1217.6Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.
Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones
Acta Crystallographica Section C, 2020, 76
2022100 CIF
HKL
Paper
Cl3 H12 K Mg O6C 1 2/c 19.251; 9.516; 13.217
90; 90.06; 90
1163.5Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang
Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family
Acta Crystallographica Section C, 2020, 76, 507-512
2022101 CIF
HKL
Paper
C30 H26 Cu N4 O8P -18.647; 8.819; 10.125
70.58; 79.61; 75.26
700.3Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej
A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine
Acta Crystallographica Section C, 2020, 76, 500-506
2022102 CIF
HKL
Paper
C15 H13 Cl N2 O3P 1 21/n 18.402; 13.243; 24.421
90; 95.08; 90
2706.6Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej
A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine
Acta Crystallographica Section C, 2020, 76, 500-506
2022103 CIF
HKL
Paper
C10 H12 I N5 O5P 1 21 19.1086; 6.3149; 11.0428
90; 95.585; 90
632.17Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank
7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization
Acta Crystallographica Section C, 2020, 76, 513-523
2022104 CIF
HKL
Paper
C8 H6 F4 I2 O SP n m a12.8308; 21.3307; 4.6463
90; 90; 90
1271.65Bond, Andrew D.; Truscott, Chris L.
Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene
Acta Crystallographica Section C, 2020, 76, 524-529
2022105 CIF
HKL
Paper
C8 H6 F4 I2 O S10.6731; 18.0023; 6.547
90; 90; 90
1257.94Bond, Andrew D.; Truscott, Chris L.
Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene
Acta Crystallographica Section C, 2020, 76, 524-529
2022106 CIF
HKL
Paper
C8 H6 F4 I2 O SP n m a11.6799; 18.2664; 6.0984
90; 90; 90
1301.09Bond, Andrew D.; Truscott, Chris L.
Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene
Acta Crystallographica Section C, 2020, 76, 524-529
2022107 CIF
HKL
Paper
C10 H11 N5P 1 21/c 110.1953; 14.2866; 14.9027
90; 103.845; 90
2107.6Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
Acta Crystallographica Section C, 2020, 76, 367-374
2022108 CIF
HKL
Paper
C12 H14 N6 OP 1 21/n 18.2711; 14.0773; 22.2655
90; 99.373; 90
2557.9Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
Acta Crystallographica Section C, 2020, 76, 367-374
2022109 CIF
HKL
Paper
C13 H16.5 N6 O1.25P -19.1836; 16.5814; 20.8041
106.76; 97.854; 103.408
2879.43Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
Acta Crystallographica Section C, 2020, 76, 367-374
2022110 CIF
HKL
Paper
C13 H15 F3 N6 O4 SP 1 21/n 18.9818; 9.5704; 21.1278
90; 95.383; 90
1808.12Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
Acta Crystallographica Section C, 2020, 76, 367-374
2022111 CIF
HKL
Paper
C12 H13 F6 N5 O6 S2P 1 21/c 112.2524; 14.0242; 11.4488
90; 102.259; 90
1922.39Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej
Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands
Acta Crystallographica Section C, 2020, 76, 367-374
2022112 CIF
HKL
Paper
C12 H5 Cl4 I2 NP -14.1177; 13.502; 14.151
78.864; 83.719; 87.935
767.2Bosch, Eric; Battle, Jessica D.; Groeneman, Ryan H.
Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene
Acta Crystallographica Section C, 2020, 76
2022113 CIF
HKL
Paper
C10 H20 Bi Cl7 N6 OP -19.1612; 10.8591; 11.7273
94.303; 101.914; 106.254
1084.89Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022114 CIF
HKL
Paper
C24 H36 Bi2 Cl10 N8P -18.8144; 8.9982; 12.344
76.784; 87.111; 88.514
951.8Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022115 CIF
HKL
Paper
C24 H36 Bi2 Br10 N8P -19.2145; 9.0678; 12.6314
75.476; 86.926; 89.221
1020.22Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022116 CIF
HKL
Paper
C10 H22 Bi2 Cl10 N6 O2C 1 2/c 118.0583; 12.0745; 13.438
90; 104.08; 90
2842.05Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022117 CIF
HKL
Paper
C5 H8 Bi I4 N3P 1 21/n 112.02106; 7.8088; 15.3298
90; 90.053; 90
1439.01Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022118 CIF
HKL
Paper
C5 H7 Bi Br4 N2P 1 21/c 111.6622; 14.08143; 7.35193
90; 94.7149; 90
1203.25Senior, Levi; Linden, Anthony
Halobismuth(III) salts with substituted aminopyridinium cations
Acta Crystallographica Section C, 2020, 76
2022119 CIF
HKL
Paper
C47 H45 N9 O11 Zn2C 1 2/c 112.3143; 16.3192; 23.367
90; 103.545; 90
4565.2Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun
Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section C, 2020, 76
2022120 CIF
HKL
Paper
C44 H36 N8 O9 Zn2F d d 212.436; 24.0412; 28.4613
90; 90; 90
8509.3Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun
Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section C, 2020, 76
2022121 CIF
HKL
Paper
C9 H14 Cl N5C 1 2/c 118.464; 13.7652; 9.3158
90; 98.847; 90
2339.54Kaabi, Kamel; Klai, Kacem; Wenger, Emmanuel; Jelsch, Christian; Lefebvre, Frédéric; Nasr, Cherif Ben
Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(<i>o</i>-tolyl)biguanidium chloride
Acta Crystallographica Section C, 2020, 76
2022122 CIF
HKL
Paper
C12 H10 I2 Se Te2P 1 21/c 112.98; 16.037; 7.8571
90; 92.406; 90
1634.1Torubaev, Yury V.
Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se
Acta Crystallographica Section C, 2020, 76
2022123 CIF
HKL
Paper
C7 H6 Cl N O2P 1 21/c 111.7867; 4.4744; 15.0453
90; 112.464; 90
733.26Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard
Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)
Acta Crystallographica Section C, 2020, 76
2022124 CIF
HKL
Paper
C7 H6 Cl N O2P 1 21/c 111.785; 4.469; 15.004
90; 112.537; 90
729.9Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard
Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)
Acta Crystallographica Section C, 2020, 76
2022125 CIF
HKL
Paper
C7 H6 Br N O2P 1 21/c 112.1412; 4.4763; 15.0876
90; 112.626; 90
756.87Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard
Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)
Acta Crystallographica Section C, 2020, 76
2022126 CIF
HKL
Paper
C7 H6 Br N O2P 1 21/c 112.152; 4.47; 15.07
90; 112.56; 90
756Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard
Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)
Acta Crystallographica Section C, 2020, 76
2022127 CIF
HKL
Paper
C49.25 H44 N O7.25P 19.738; 9.9295; 10.803
75.924; 79.438; 86.77
995.97Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin
Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand
Acta Crystallographica Section C, 2020, 76
2022128 CIF
Paper
C48 H43 Cd N O9P -110.557; 11.7711; 20.7242
89.106; 87.402; 66.982
2367.86Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin
Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand
Acta Crystallographica Section C, 2020, 76
2022129 CIF
Paper
C48 H37 N O7 Zn2P 1 21/c 16.16863; 34.8853; 22.0643
90; 91.825; 90
4745.71Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin
Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand
Acta Crystallographica Section C, 2020, 76
2022130 CIF
HKL
Paper
C9 H12 N4 O6P 312.7917; 12.7917; 5.8996
90; 90; 120
836.01Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald
Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding
Acta Crystallographica Section C, 2020, 76
2022131 CIF
HKL
Paper
C40 H24 Co2 N2 O8P m m a11.857; 12.936; 13.877
90; 90; 90
2128.5Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna
Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production
Acta Crystallographica Section C, 2020, 76
2022133 CIF
HKL
Paper
C6 H10 F2 N2 OP 1 21/m 17.9253; 5.9962; 8.433
90; 113.551; 90
367.37Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022134 CIF
HKL
Paper
C6 H9 Br N2 OP n m a14.4984; 6.722; 8.113
90; 90; 90
790.7Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022135 CIF
HKL
Paper
C6 H9 I N2 OP 1 2/n 17.1803; 7.2139; 8.6574
90; 100.603; 90
440.78Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022136 CIF
HKL
Paper
C7 H13 I N4 O2P 1 21/c 18.772; 11.5579; 14.07
90; 127.378; 90
1133.6Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022137 CIF
HKL
Paper
C7 H14 F2 N4 S2P 1 21/m 16.3876; 8.8268; 10.5
90; 99.355; 90
584.14Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022138 CIF
HKL
Paper
C6 H9 Br N2 SC 1 2/c 18.4675; 14.9142; 6.8814
90; 101.575; 90
851.35Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022139 CIF
HKL
Paper
C6 H9 I N2 SC m c m8.7198; 15.095; 7.0716
90; 90; 90
930.8Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław
Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
Acta Crystallographica Section C, 2020, 76, 468-475
2022140 CIF
HKL
Paper
C16 H12 O5P 1 21/n 13.8224; 19.5339; 16.536
90; 91.604; 90
1234.2De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.
Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin
Acta Crystallographica Section C, 2020, 76, 490-499
2022141 CIF
HKL
Paper
C16 H12 O5P 1 21/c 19.78509; 15.8032; 8.33104
90; 91.3453; 90
1287.92De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.
Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin
Acta Crystallographica Section C, 2020, 76, 490-499
2022142 CIF
HKL
Paper
C16 H14 O6P 21 21 214.64835; 16.4123; 18.329
90; 90; 90
1398.32De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.
Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin
Acta Crystallographica Section C, 2020, 76, 490-499
2022143 CIF
HKL
Paper
C16 H14.5 O6.25P 1 21/n 14.39382; 18.7848; 16.8308
90; 96.5918; 90
1379.98De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.
Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin
Acta Crystallographica Section C, 2020, 76, 490-499
2022144 CIF
HKL
Paper
C15 H9 N3 O2P 1 21/n 111.6814; 6.431; 16.0589
90; 100.687; 90
1185.47Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher
Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative
Acta Crystallographica Section C, 2020, 76, 446-453
2022145 CIF
HKL
Paper
C16 H11 N3 O2P 1 21/n 17.5676; 20.2663; 9.2503
90; 112.957; 90
1306.33Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher
Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative
Acta Crystallographica Section C, 2020, 76, 446-453
2022146 CIF
HKL
Paper
C15 H8 Cl N3 O2P 1 21/c 111.0993; 12.8996; 9.2234
90; 106.675; 90
1265.04Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher
Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative
Acta Crystallographica Section C, 2020, 76, 446-453
2022147 CIF
HKL
Paper
C15 H8 Cl N3 O2P 1 21/c 116.7331; 5.9676; 13.681
90; 112.82; 90
1259.21Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher
Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative
Acta Crystallographica Section C, 2020, 76, 446-453
2022148 CIF
HKL
Paper
C17 H15 N3 O3P 1 21/c 111.1518; 9.3143; 14.2417
90; 98.655; 90
1462.46Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher
Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative
Acta Crystallographica Section C, 2020, 76, 446-453
2022149 CIF
HKL
Paper
C24 H21 N O4C 1 2/c 118.7572; 13.2095; 16.75
90; 105.374; 90
4001.7Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022150 CIF
HKL
Paper
C25 H24 N2 O3P -19.1028; 10.6434; 11.2539
88.988; 68.422; 81.352
1001.55Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022151 CIF
HKL
Paper
C22 H18 N2 O3P -17.8838; 10.1766; 11.8719
87.554; 75.996; 69.428
864.3Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022152 CIF
HKL
Paper
C24 H19 N O5P -111.8136; 12.4987; 13.5976
93.084; 101.883; 95.055
1951.7Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022153 CIF
HKL
Paper
C23 H16 F N O2P 1 21/c 17.6021; 20.488; 10.9319
90; 96.986; 90
1690Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022154 CIF
HKL
Paper
C24 H19 N O3P 1 21/n 14.9743; 29.1957; 12.4406
90; 100.914; 90
1774.05Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022155 CIF
HKL
Paper
C22 H16 N2 O2P 1 21/n 17.3457; 18.0675; 13.1813
90; 105.994; 90
1681.7Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022156 CIF
HKL
Paper
C21 H15 N O2 SP b c a17.5058; 8.8163; 21.2092
90; 90; 90
3273.4Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022157 CIF
HKL
Paper
C23 H15 Cl2 N O2P -18.201; 9.7629; 12.174
76.755; 87.675; 76.211
921.34Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Acta Crystallographica Section C, 2020, 76, 433-445
2022158 CIF
Paper
C22 H18 Cu N4 O2 S2P 32 2 19.794; 9.794; 19.8673
90; 90; 120
1650.4Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai
Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study
Acta Crystallographica Section C, 2020, 76
2022159 CIF
Paper
C24 H24 Cu2 N4 O4 S2P -17.505; 7.9967; 11.9102
76.112; 71.827; 82.057
657.73Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai
Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study
Acta Crystallographica Section C, 2020, 76
2022160 CIF
HKL
Paper
C11 H28 Co I2 N5 O3P 1 21 19.4554; 9.901; 10.3668
90; 97.567; 90
962.07Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi
Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains
Acta Crystallographica Section C, 2020, 76
2022161 CIF
HKL
C11 H24 Cl2 Co N5 O6P 1 21/n 113.6098; 11.1177; 13.6429
90; 118.651; 90
1811.5Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi
Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains
Acta Crystallographica Section C, 2020, 76
2022162 CIF
HKL
C10 H25 Cl2 Co N6 O7P b c a11.5455; 11.8865; 25.3868
90; 90; 90
3484Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi
Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains
Acta Crystallographica Section C, 2020, 76
2022165 CIF
HKL
Paper
C40 H24 Cl Mn N8P 1 21/n 19.5189; 14.245; 23.4079
90; 95.92; 90
3157.1Wen-Tong Chen
A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties
Acta Crystallographica, Section C, 2020, 76, 375-380
2022166 CIF
HKL
Paper
C21 H19 N O3P 1 21/c 112.211; 8.1447; 17.6634
90; 109.43; 90
1656.7Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea
Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct
Acta Crystallographica Section C, 2020, 76
2022167 CIF
HKL
Paper
C13 H21 N O2P 1 21/n 17.2657; 14.4917; 24.6836
90; 90.042; 90
2598.99Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022168 CIF
HKL
Paper
C19 H26 N2 O4P -16.5225; 12.7734; 12.8431
118.954; 91.292; 101.139
910.2Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022169 CIF
HKL
Paper
C13 H22 Cl N O2P 1 21 17.0226; 7.9585; 12.5188
90; 103.645; 90
679.92Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022170 CIF
HKL
Paper
C19 H26 N2 O4P 41 21 210.9828; 10.9828; 31.824
90; 90; 90
3838.67Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022171 CIF
HKL
Paper
C20 H21 F3 N4 O3 SP 1 21/c 111.8973; 8.836; 21.8286
90; 103.454; 90
2231.75Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022172 CIF
HKL
Paper
C21 H23 F3 N4 O3 SP 1 21/c 111.9584; 9.2028; 21.2811
90; 103.383; 90
2278.41Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022173 CIF
HKL
Paper
C22 H23 F3 N4 O3 SP 1 21/c 111.9978; 9.0896; 21.9732
90; 101.358; 90
2349.36Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022174 CIF
HKL
Paper
C22 H26 F3 N5 O3 SP 1 21/c 112.405; 8.9351; 22.5727
90; 98.6702; 90
2473.36Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022175 CIF
HKL
Paper
C23 H26 F3 N5 O3 SP 1 21/c 112.4495; 8.7822; 22.656
90; 97.861; 90
2453.8Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022176 CIF
HKL
Paper
C19 H20 F3 N3 O3 S2P 1 21/c 111.9884; 9.023; 20.8537
90; 100.391; 90
2218.78Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022177 CIF
HKL
Paper
C44 H45 Cl4 Fe5 N42 O7P 1 21/n 111.2862; 29.3083; 19.6024
90; 98.393; 90
6414.6Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua
Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster
Acta Crystallographica Section C, 2020, 76
2022179 CIF
Paper
C34 H36 N4 O6 S2P 1 21/c 14.7581; 18.599; 18.266
90; 92.409; 90
1615Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting
Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration
Acta Crystallographica Section C, 2020, 76
2022180 CIF
HKL
Paper
C22 H16 O2C 1 2/c 110.2487; 16.3033; 19.7539
90; 100.42; 90
3246.2Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022181 CIF
HKL
Paper
C23 H18 O2P 1 21/c 116.6799; 7.9102; 13.1511
90; 98.558; 90
1715.85Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022182 CIF
HKL
Paper
C23 H18 O2P -18.9094; 9.6578; 10.9044
104.378; 109.425; 91.902
850.24Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022183 CIF
HKL
Paper
C23 H18 O3P 1 21/n 123.4111; 8.0027; 28.1094
90; 97.156; 90
5225.33Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022184 CIF
HKL
Paper
C16 H12 O2P -17.7718; 8.6069; 9.0857
89.744; 84.862; 74.199
582.31Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022185 CIF
HKL
Paper
C17 H14 O3P -17.557; 12.3558; 14.4044
82.748; 87.126; 75.768
1293.01Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta
The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Acta Crystallographica Section C, 2020, 76
2022186 CIF
HKL
C18 H16 Cl N2 Na O8 SP 1 21/c 118.5318; 5.9396; 17.4426
90; 95.528; 90
1911Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian
Two monosodium salt hydrates of Colour Index Pigment Red 48
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022187 CIF
HKL
C18 H14 Cl N2 Na O7 SP 1 21/c 118.2222; 5.9486; 16.9361
90; 92.037; 90
1834.66Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian
Two monosodium salt hydrates of Colour Index Pigment Red 48
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022188 CIF
HKL
Paper
C H14 Cl2 Mg2 O10C 1 c 113.368; 11.262; 9.266
90; 118.83; 90
1222.1Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang
Crystal structure and characterization of magnesium carbonate chloride heptahydrate
Acta Crystallographica Section C, 2020, 76
2022189 CIF
HKL
Paper
C27 H25 Ce N2 O10P -110.9515; 11.2204; 12.287
103.223; 100.928; 100.379
1403.1Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022190 CIF
HKL
Paper
C27 H25 N2 O10 PrP -110.9076; 11.1726; 12.3717
102.985; 101.259; 100.483
1400.1Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022191 CIF
HKL
Paper
C27 H25 N2 Nd O10P -110.8669; 11.1173; 12.4442
102.564; 101.643; 100.661
1395.4Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022192 CIF
HKL
Paper
C27 H25 N2 O10 SmP -110.7827; 10.9479; 12.7964
100.735; 103.054; 101.521
1398.9Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022193 CIF
HKL
Paper
C27 H25 Eu N2 O10P -110.7597; 10.9088; 12.9291
100.285; 103.621; 101.711
1402.73Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022194 CIF
HKL
Paper
C27 H25 Gd N2 O10P -110.722; 10.87; 12.949
100.12; 103.89; 101.79
1393.5Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
Acta Crystallographica Section C, 2020, 76
2022195 CIF
HKL
Paper
C32 H50 N16 O51 Si W12C 1 c 115.8623; 20.7547; 21.8096
90; 107.576; 90
6844.9Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.
Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates
Acta Crystallographica Section C, 2020, 76
2022196 CIF
HKL
Paper
C24 H36 N12 O47.5 P W12P 1 21/n 110.8071; 23.4412; 23.6644
90; 90.72; 90
5994.5Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.
Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates
Acta Crystallographica Section C, 2020, 76
2022197 CIF
HKL
Paper
C28 H30 Cl N3 O2 S2P 1 21/c 114.1669; 10.7145; 17.135
90; 98.654; 90
2571.33Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation
Acta Crystallographica Section C, 2020, 76
2022198 CIF
HKL
Paper
C30 H26 Cl N3 O2 S2P n a 218.2419; 28.0429; 11.5843
90; 90; 90
2677.44Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation
Acta Crystallographica Section C, 2020, 76
2022199 CIF
HKL
Paper
Gd Hf K2 O12 P3P 21 310.3179; 10.3179; 10.3179
90; 90; 90
1098.43Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan
A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties
Acta Crystallographica Section C, 2020, 76

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