Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1549412 | CIF HKL Paper | C18 H16 Cu Na2 O16 | P -1 | 6.9048; 7.0555; 11.8449 105.071; 93.073; 109.955 | 517.26 | Yang, Annabeth P.; LaDuca, Robert L. Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net IUCrData, 2018, 3, x180676 |
| 1549413 | CIF HKL Paper | C14 H21 N O4 | P 1 21/c 1 | 8.16; 14.876; 12.549 90; 93.192; 90 | 1520.9 | Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K. Diisopropylammonium hydrogen phthalate IUCrData, 2018, 3, x180704 |
| 1549439 | CIF HKL Paper | C61 H81 B F15 N3 Zr | P 1 21/c 1 | 23.493; 11.9942; 21.8489 90; 104.259; 90 | 5966.9 | Frerichs, Nils; Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr^+^-μ-CH~3~—B^{-^} moiety and one equivalent of <i>n</i>-hexane as a solvent IUCrData, 2018, 3, x180644 |
| 1549440 | CIF HKL Paper | C23 H18 Fe2 O S2 | P -1 | 9.8525; 10.6407; 19.272 98.867; 95.255; 105.512 | 1904.76 | Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I. 4,5-Diferrocenyl-1,2-dithiol-3-one IUCrData, 2018, 3, x180685 |
| 1549494 | CIF HKL Paper | C10 H23 Cl3 N2 Pd | P 1 21/c 1 | 7.286; 17.379; 12.95 90; 102.769; 90 | 1599.2 | Oberley, Alan J.; Kadel, Lava R.; Senaratne, Nilmini K.; Eichhorn, David M. Tetraethylammonium (acetonitrile)trichloridopalladate(II) IUCrData, 2018, 3, x180750 |
| 1549518 | CIF HKL Paper | C17 H19 N | P 1 21/n 1 | 6.7724; 7.1774; 26.793 90; 93.184; 90 | 1300.3 | Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T. (<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine IUCrData, 2018, 3, x180764 |
| 1549520 | CIF HKL Paper | C19 H19 N3 O3 | P -1 | 7.5867; 10.268; 11.4684 95.592; 102.147; 109.987 | 806.72 | Koh, Dongsoo; Lee, Ji Hye 4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine IUCrData, 2018, 3, x180796 |
| 1549521 | CIF HKL Paper | C16 H24 Br4 Cd N2 O2 | P 1 21/n 1 | 16.7564; 7.9403; 17.9303 90; 103.777; 90 | 2317 | Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Bis(4-methoxybenzylammonium) tetrabromidocadmate(II) IUCrData, 2018, 3, x180795 |
| 1549528 | CIF HKL Paper | C19 H16 O3 | P -1 | 6.8573; 7.4073; 15.55 87.843; 78.892; 72.347 | 738.4 | Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G. (3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x180829 |
| 1549529 | CIF HKL Paper | C19.83 H29 Cl3 N4 O2.17 | P -1 | 11.0118; 11.7295; 11.7453 66.009; 67.12; 66.057 | 1220.4 | Van Erdewyk, Martha L.; Oshin, Kayode D. Crystal structure of tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342) IUCrData, 2018, 3, x180826 |
| 1549562 | CIF HKL Paper | C5 H17 I N Na O5 | P -1 | 5.8131; 7.6682; 26.7168 90.221; 91.168; 91.44 | 1190.29 | Nazarenko, Alexander Y. Betaine (trimethylammonioacetate) binary compound with sodium iodide IUCrData, 2018, 3, x180864 |
| 1549563 | CIF HKL Paper | C19 H16 N4 O3 | P 1 21/c 1 | 37.0489; 13.3154; 6.917 90; 93.771; 90 | 3404.9 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. (<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one IUCrData, 2018, 3, x180841 |
| 1549576 | CIF Paper | C14 H12 O3 | P 21 21 21 | 7.4539; 7.8553; 17.2286 90; 90; 90 | 1008.78 | Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione IUCrData, 2018, 3, x180852 |
| 1549584 | CIF HKL Paper | C18 H16 N4 O2 | P 1 21/n 1 | 9.2366; 10.2045; 16.1922 90; 92.144; 90 | 1525.1 | Moussaif, Ahmed; Ramli, Youssef; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T. Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate IUCrData, 2018, 3, x180892 |
| 1549585 | CIF HKL Paper | C11 H14 N2 O5 | P 1 21/n 1 | 7.7306; 16.8048; 9.3113 90; 102.001; 90 | 1183.2 | Missioui, Mohcine; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef 2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate IUCrData, 2018, 3, x180882 |
| 1549586 | CIF HKL Paper | C17 H13 Cl O3 S | P 1 21/c 1 | 13.1301; 11.9592; 10.3738 90; 112.041; 90 | 1509.9 | Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz 4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate IUCrData, 2018, 3, x180889 |
| 1549587 | CIF HKL Paper | C24 H20 O6 S2 | P 1 21/n 1 | 12.227; 5.7229; 15.9353 90; 109.869; 90 | 1048.68 | Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate) IUCrData, 2018, 3, x180890 |
| 1549604 | CIF HKL Paper | C45 H39 F6 Fe O4 P3 | P 1 21/n 1 | 9.10074; 17.7897; 24.9408 90; 97.7826; 90 | 4000.71 | Ma, Yuzhi; Lindeman, Sergey; Donaldson, William A. Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate IUCrData, 2018, 3, x180902 |
| 1549605 | CIF HKL Paper | C12 H21 N O3 S | P 1 21/c 1 | 11.737; 8.8719; 14.3722 90; 106.616; 90 | 1434.1 | Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Geiger, David K. Diisopropylammonium benzenesulfonate IUCrData, 2018, 3, x180876 |
| 1549606 | CIF HKL Paper | C28 H30 Mo N2 O4 P2 | P b c a | 15.634; 17.716; 21.661 90; 90; 90 | 5999 | Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent IUCrData, 2018, 3, x180846 |
| 1549607 | CIF HKL Paper | C19 H13 F3 N4 | P 1 21/c 1 | 15.0553; 15.7338; 6.9701 90; 99.54; 90 | 1628.2 | El Hafi, Mohamed; Boulhaoua, Mohammed; Lahmidi, Sanae; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine IUCrData, 2018, 3, x180875 |
| 1549608 | CIF HKL Paper | C12 H15 N O4 S | P 1 21/c 1 | 8.834; 18.6849; 7.6927 90; 91.478; 90 | 1269.35 | Baryala, Yamna; El Bakri, Youness; Anouar, El Hassane; Zerzouf, Abdelfettahb; Essassi, El Mokhtar; Mague, Joel T. Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate IUCrData, 2018, 3, x180887 |
| 1549628 | CIF HKL Paper | C14 H16 N2 Na O10 Rb S2 | P n m a | 14.2754; 6.5831; 21.5365 90; 90; 90 | 2023.9 | Nazarenko, Alexander Y. Sodium rubidium disaccharinate tetrahydrate IUCrData, 2018, 3, x180867 |
| 1549664 | CIF HKL Paper | C21 H24 N2 O S | P 1 21/c 1 | 14.898; 14.878; 8.4007 90; 96.78; 90 | 1849 | Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef 4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one IUCrData, 2018, 3, x180934 |
| 1549665 | CIF HKL Paper | C15 H13 N3 | P 1 21/n 1 | 5.9642; 17.7004; 11.3963 90; 100.695; 90 | 1182.2 | El Ghayati, Lhoussaine; Ramli, Youssef; Moussaif, Ahmed; Koubachi, Jamal; Taha, Mohamed Labd; Essassi, El Mokhtar; Mague, Joel T. 2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine IUCrData, 2018, 3, x180953 |
| 1549666 | CIF HKL Paper | C17 H12 O4 | P 1 c 1 | 5.7029; 4.0346; 28.9081 90; 90.751; 90 | 665.09 | Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel 2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate IUCrData, 2018, 3, x180927 |
| 1549667 | CIF HKL Paper | C16 H16 Cd2 O8 | P 1 21/n 1 | 9.8377; 7.07; 24.268 90; 100.12; 90 | 1661.6 | LaDuca, Andrew R.; LaDuca, Robert L. Poly[(μ5-cis-cyclohex-4-ene-1,2-dicarboxylato)(μ3-cis-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)] IUCrData, 2018, 3, x180924 |
| 1549674 | CIF HKL Paper | C25 H20 N2 O5 | P -1 | 11.5219; 14.2321; 14.7033 72.201; 73.469; 73.647 | 2150.18 | Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen 2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one IUCrData, 2018, 3, x180962 |
| 1549675 | CIF HKL Paper | C17 H13 N5 O | P c a 21 | 23.5234; 10.5928; 23.4895 90; 90; 90 | 5853.1 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole IUCrData, 2018, 3, x180966 |
| 1549702 | CIF HKL Paper | C17 H18 N2 O2 S2 | P 1 21/n 1 | 7.3167; 15.5894; 15.5627 90; 101.82; 90 | 1737.49 | Aziz, Hamid; Saeed, Aamer; Simpson, Jim 5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate IUCrData, 2018, 3, x181010 |
| 1549703 | CIF HKL Paper | C15 H18 N2 O | P 1 21/c 1 | 11.4283; 9.2294; 12.3632 90; 96.89; 90 | 1294.6 | Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T. 4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one IUCrData, 2018, 3, x181011 |
| 1549714 | CIF HKL Paper | C22 H15 N O2 S | P b c a | 9.265; 10.3523; 36.0698 90; 90; 90 | 3459.6 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2018, 3, x181019 |
| 1549720 | CIF HKL Paper | C14 H18 N2 O3 | P n a 21 | 12.2836; 14.5343; 7.8596 90; 90; 90 | 1403.2 | Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef 2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate IUCrData, 2018, 3, x181046 |
| 1549721 | CIF HKL Paper | C19 H16 O5 | P 21 21 21 | 4.6852; 17.5786; 18.8573 90; 90; 90 | 1553.07 | Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate IUCrData, 2018, 3, x180993 |
| 1549779 | CIF HKL Paper | C25 H24 N4 O3 S | P 1 2/c 1 | 8.3287; 13.8956; 20.3124 90; 90.635; 90 | 2350.7 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate IUCrData, 2018, 3, x181106 |
| 1549780 | CIF HKL Paper | H4 N O3 V | P b c m | 4.9045; 11.7945; 5.8231 90; 90; 90 | 336.84 | Pérez-Benítez, Aarón; Bernès, Sylvain Redetermination of ammonium metavanadate IUCrData, 2018, 3, x181080 |
| 1549781 | CIF HKL Paper | C19 H14 O2 | P b c n | 19.7403; 9.3294; 15.0595 90; 90; 90 | 2773.4 | Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra 10-Methyl-9,11-annulated dibenzobarrelene IUCrData, 2018, 3, x181102 |
| 1549793 | CIF HKL Paper | C10 H7 Cl N3 Na O2 | P 1 21/c 1 | 11.6462; 6.3754; 14.7003 90; 92.711; 90 | 1090.26 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate IUCrData, 2018, 3, x181127 |
| 1549794 | CIF HKL Paper | C37 H31 B Cl3 F4 N P2 | P -1 | 9.6306; 10.813; 17.0381 91.826; 95.619; 90.734 | 1764.6 | Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W. Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate IUCrData, 2018, 3, x181108 |
| 1549795 | CIF HKL Paper | C15 H22 I N | P b c a | 15.631; 11.614; 16.976 90; 90; 90 | 3082 | da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís 1-Butyl-2,3,3-trimethylindol-1-ium iodide IUCrData, 2018, 3, x181130 |
| 1549803 | CIF HKL Paper | C16 H12 O3 | P 1 21/n 1 | 13.2958; 5.1981; 18.8162 90; 109.212; 90 | 1228.02 | Padgett, Clifford W.; Lynch, Will E.; Sheriff, Kirkland; Dean, Raven; Zingales, Sarah 3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181138 |
| 1549804 | CIF HKL Paper | C18 H18 Cl N3 O | P 65 | 9.9013; 9.9013; 28.981 90; 90; 120 | 2460.5 | Lee, Ji Hye; Koh, Dongsoo 2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride IUCrData, 2018, 3, x181152 |
| 1549819 | CIF HKL | C17 H20 N6 O2 | P -1 | 7.3968; 10.6475; 12.7769 106.577; 100.809; 108.208 | 872.83 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate IUCrData, 2018, 3, x181162 |
| 1549869 | CIF HKL Paper | C25 H47 N O7 | P 21 21 21 | 7.9093; 13.3712; 25.3669 90; 90; 90 | 2682.72 | Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre (2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1) IUCrData, 2018, 3, x181194 |
| 1549870 | CIF HKL Paper | C9 H14 Br4 Co N4 | C 1 2/c 1 | 15.7782; 7.4076; 28.567 90; 95.7271; 90 | 3322.2 | Peppel, Tim; Spannenberg, Anke 3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II) IUCrData, 2018, 3, x181212 |
| 1549871 | CIF HKL Paper | C18 H13 Cl2 N O2 | P -1 | 7.4005; 10.4272; 10.5704 86.076; 72.382; 81.325 | 768.3 | Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu. (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one IUCrData, 2018, 3, x181224 |
| 1549872 | CIF HKL Paper | C13 H13 N2 O7 | P -1 | 7.2618; 8.9419; 11.0001 85.545; 86.177; 75.248 | 687.84 | Dziuk, Błażej; Jezuita, Anna 2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate IUCrData, 2018, 3, x181219 |
| 1549898 | CIF HKL Paper | C22 H36 N2 | P 1 21/n 1 | 5.6271; 21.1764; 8.2787 90; 105.86; 90 | 948.95 | Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine IUCrData, 2018, 3, x181237 |
| 1549899 | CIF HKL Paper | C15 H14 N4 O3 | P 1 | 5.859; 7.479; 16.329 93.818; 91.29; 94.252 | 711.7 | Wang, Zhaodong; Ni, Haitao Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate IUCrData, 2018, 3, x181230 |
| 1549950 | CIF HKL Paper | C20 H19 N O2 | P 1 21/c 1 | 9.362; 11.6073; 15.0732 90; 98.859; 90 | 1618.43 | Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G. Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181273 |
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