Crystallography Open Database

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7248994 CIFC25 H28 N6 OR -3 :H37.2454; 37.2454; 9.65133
90; 90; 120
11594.8Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt
A score and nine years of irbesartan
CrystEngComm, 2024, 26, 4566-4578
7248995 CIFC25 H28 N6 OR -3 :H37.4596; 37.4596; 9.8361
90; 90; 120
11953.1Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt
A score and nine years of irbesartan
CrystEngComm, 2024, 26, 4566-4578
7248996 CIFC25 H30 N6 O2R -3 :H37.2565; 37.2565; 9.6925
90; 90; 120
11651.2Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt
A score and nine years of irbesartan
CrystEngComm, 2024, 26, 4566-4578
7248997 CIFC25 H28 N6 OR -3 :H37.2303; 37.2303; 9.7085
90; 90; 120
11654Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt
A score and nine years of irbesartan
CrystEngComm, 2024, 26, 4566-4578
7248998 CIFC10 F8 N4P 1 21/c 15.8251; 15.5339; 5.9792
90; 100.851; 90
531.36Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7248999 CIFC34 H22 B2 F4 N4 O4P 1 21/c 17.0434; 12.8068; 16.0013
90; 98.123; 90
1428.89Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7249000 CIFC10 H4 F4 N4P 1 21/c 15.0686; 5.1891; 18.59
90; 90.109; 90
488.94Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7249001 CIFC34 H26 B2 N4 O4P 1 21/c 16.8631; 13.149; 15.7054
90; 99.615; 90
1397.39Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7249002 CIFC22 H9 B F8 N4 O2P -16.2144; 7.2948; 11.7785
81.392; 77.89; 85.14
515.4Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7249003 CIFC34 H24 B2 F2 N4 O4P 1 21/c 16.871; 13.0541; 15.9373
90; 97.627; 90
1416.85Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7249004 CIFC8 H7 Cl3 Hg N4C 1 2/c 121.2883; 7.9852; 15.3182
90; 108.751; 90
2465.8Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249005 CIFC6 H5 Cl3 Hg N4P b c n13.1765; 10.5309; 14.9341
90; 90; 90
2072.26Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249006 CIFC12 H9 Cd Cl3 N4I 1 2/a 113.7616; 13.875; 17.3043
90; 112.316; 90
3056.7Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249007 CIFC24 H18 Cl8 Hg3 N8P 1 21/c 114.6958; 8.2297; 13.5675
90; 101.382; 90
1608.61Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249008 CIFC6 H5 Cd Cl3 N4I 1 2/a 114.6036; 10.4826; 14.0963
90; 114.117; 90
1969.56Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249009 CIFC16 H14 Cl4 N8 ZnP -17.8207; 11.482; 12.1835
107.838; 95.257; 94.091
1031.35Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249010 CIFC16 H14 Cd2 Cl6 N8P -17.9194; 11.28; 14.7285
102.283; 92.67; 110.237
1195.82Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249011 CIFC18 H15 Cl5 N12 ZnP -16.9888; 10.2584; 18.2501
102.553; 90.641; 108.11
1209.5Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249012 CIFC48 H36 Cl7.91 N16 Zn2P -19.932; 14.3027; 19.3085
90.232; 96.974; 92.585
2719.67Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
CrystEngComm, 2024, 26, 4418-4430
7249013 CIFC13 H5 F3 I3 N O SP -19.1407; 9.6712; 10.5728
83.925; 86.217; 65.675
846.64Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249014 CIFC16 H9 F4 I2 N OP 1 21 19.0215; 5.9752; 16.633
90; 102.764; 90
874.45Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249015 CIFC20 H10 F4 I2 N2 O2 S2P -15.8434; 9.8958; 10.8439
68.788; 84.873; 75.319
565.48Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249016 CIFC14 H6 F3 I3 N2 OP 1 21/n 14.9988; 17.71; 19.4968
90; 95.15; 90
1719.06Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249017 CIFC14 H6 F4 I2 N2 OP 21 21 215.9978; 7.774; 32.974
90; 90; 90
1537.48Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249018 CIFC20 H6 F8 I4 N2 OP 1 21/n 17.3099; 12.9537; 26.1341
90; 90.842; 90
2474.4Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249019 CIFC16 H9 F3 I3 N OC 1 c 117.6258; 4.7248; 22.8559
90; 97.24; 90
1888.23Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249020 CIFC21 H7 F8 I4 N OC 1 2/c 129.7446; 8.7558; 24.0108
90; 127.927; 90
4932.6Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249021 CIFC15 H7 F4 I2 N OP 1 21 18.1546; 5.9866; 16.616
90; 97.011; 90
805.1Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249022 CIFC15 H7 F3 I3 N OP -19.1993; 9.7631; 10.5954
84.563; 85.979; 65.091
858.73Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249023 CIFC15 H7 F4 I2 N OP -18.1512; 9.2659; 11.0875
103.811; 95.582; 101.302
788.26Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249024 CIFC14 H6 F4 I2 N2 OP b c n17.9765; 12.865; 13.6805
90; 90; 90
3163.9Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249025 CIFC15 H6 F3 I3 N2 O3C 1 c 14.9443; 17.6264; 21.809
90; 96.092; 90
1889.93Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249026 CIFC13 H5 F4 I2 N O2P 1 21 15.7685; 16.8433; 7.9199
90; 97.137; 90
763.54Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249027 CIFC7 H5 N OC 1 2/c 111.7125; 8.7742; 22.06
90; 98.273; 90
2243.47Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249028 CIFC27 H15 F3 I3 N3 O3P -110.0238; 11.0764; 12.9002
99.313; 95.503; 94.395
1400.68Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249029 CIFC9 H6 N2 O3C 1 2/c 119.0306; 6.4052; 14.0416
90; 102.248; 90
1672.64Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249030 CIFC15 H6 F4 I2 N2 O3P 1 21/n 18.7028; 21.0309; 9.406
90; 95.139; 90
1714.64Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249031 CIFC13 H5 F4 I2 N OP 1 21/n 114.4917; 7.3816; 26.3414
90; 90.223; 90
2817.77Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249032 CIFC13 H5 F4 I2 N OP 1 21/n 114.1322; 5.5319; 18.641
90; 95.506; 90
1450.59Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249033 CIFC13 H5 F3 I3 N O2C 1 c 14.9817; 17.5239; 19.0409
90; 93.994; 90
1658.21Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249034 CIFC24 H26 Cd1.5 N3 O11P -110.2225; 11.0134; 12.1627
84.048; 79.544; 83.723
1333.59Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu
Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes
CrystEngComm, 2024, 26, 4339-4349
7249035 CIFC9 H15 O12 Zn1.5C 1 2 117.4786; 12.9233; 6.5827
90; 112.399; 90
1374.72Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu
Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes
CrystEngComm, 2024, 26, 4339-4349
7249036 CIFC126 H132 Ag4 Mo8 N6 O32 P6P -113.0333; 15.073; 18.2889
106.84; 92.601; 97.46
3396.6Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao
Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units
CrystEngComm, 2024, 26, 4329-4338
7249037 CIFC110 H104 Cl4 Cu4 Mo8 N4 O26 P8P 1 21/c 113.265; 21.934; 23.266
90; 91.28; 90
6768Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao
Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units
CrystEngComm, 2024, 26, 4329-4338
7249038 CIFC156 H138 Cu4 Mo8 N6 O26 P8P -115.9275; 16.1794; 19.0604
81.001; 78.954; 88.419
4761.5Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao
Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units
CrystEngComm, 2024, 26, 4329-4338
7249039 CIFC110 H104 Ag4 Cl4 Mo8 N4 O26 P8P n a 2123.7515; 17.9116; 33.5518
90; 90; 90
14273.9Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao
Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units
CrystEngComm, 2024, 26, 4329-4338
7249047 CIFC80 H48 Br4 N8 O12 Pb4 S4P -111.4897; 12.2783; 14.8287
81.385; 72.679; 83.705
1969.85Darious, Robert Swinton; Evangeline, H. Gifta; Perdih, Franc; Vedha, Swaminathan Angeline
Role of tetrel bonds in the supramolecular architecture of tetranuclear Pb(ii)[LL′thiophene carboxylate] complexes – an experimental and computational study
CrystEngComm, 2024, 26, 4098-4106
7249052 CIFC16 H17 N2 O3P -17.048; 7.351; 15.499
78.09; 84.05; 69.2
734.1Saikia, Plabon; Gupta, Poonam; Nath, Tridib R.; Nath, Naba K.
Crystal-to-crystal polymorphic phase transition in a cocrystal accompanied by expansion and surface wettability change
CrystEngComm, 2024, 26, 4259-4263
7249053 CIFC16 H16 N2 O3 SP n a 218.9872; 13.7547; 26.5649
90; 90; 90
3283.9Ungur, Doriana T.; Lanza, Arianna; Stam, Danny; Guguta, Carmen; Iordache, Coca; Fruth, Victor; Santiso-Quinones, Gustavo; Pop, Mihaela M.
Crystal structure of febuxostat marketed polymorph determined by electron diffraction and reinforced by X-ray crystallography
CrystEngComm, 2024, 26, 4295-4304
7249056 CIFC15 H20 Br9 N2 SbP 21 21 210.7933; 15.7086; 7.8096
90; 90; 90
1324.1Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.
Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems
CrystEngComm, 2024, 26, 4518-4524

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