Crystallography Open Database
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Searching journal of publication like 'IUCrData' volume of publication is 4
COD ID: 1550458 | |
CIF file | Formula: - C25 H24 Cl4 N2 P2 Pd - Comments: Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate IUCrData 4(1) (2019) x181803 Space group: P 1 21/n 1 Cell volume: 2913.85 Cell parameters: 11.7085; 16.9319; 15.2399; 90; 105.324; 90; |
COD ID: 1550459 | |
CIF file | Formula: - C12 H14 Cl N O3 - Comments: Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate IUCrData 4(1) (2019) x190016 Space group: P 1 21/c 1 Cell volume: 1150.3 Cell parameters: 5.7323; 9.2537; 21.6899; 90; 91.168; 90; |
COD ID: 1550460 | |
CIF file | Formula: - C20 H21 N5 O - Comments: Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol IUCrData 4(1) (2019) x190036 Space group: P 1 2/n 1 Cell volume: 1832.69 Cell parameters: 12.241; 5.9386; 25.2112; 90; 90.317; 90; |
COD ID: 1550461 | |
CIF file | Formula: - C17 H14 O2 - Comments: Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A. 5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid IUCrData 4(1) (2019) x181799 Space group: P 1 21/n 1 Cell volume: 1335.81 Cell parameters: 9.0801; 15.4598; 10.092; 90; 109.453; 90; |
COD ID: 1550462 | |
CIF file | Formula: - C52 H50 Cl2 N4 O7 - Comments: Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young 25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate IUCrData 4(1) (2019) x190026 Space group: P 1 21/n 1 Cell volume: 4431.7 Cell parameters: 13.702; 11.349; 28.538; 90; 92.999; 90; |
COD ID: 1550481 | |
CIF file | Formula: - C23 H26 Br Cl N6 - Comments: Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric 6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData 4(1) (2019) x190053 Space group: P 1 21/n 1 Cell volume: 2369.6 Cell parameters: 16.252; 5.3787; 27.109; 90; 90.551; 90; |
COD ID: 1550482 | |
CIF file | Formula: - C95 H90 Cl2 F3 Fe N12 O7 S - Comments: Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate IUCrData 4(1) (2019) x190015 Space group: P -1 Cell volume: 4277.6 Cell parameters: 12.2257; 19.3422; 19.5199; 88.061; 72.058; 77.104; |
COD ID: 1550483 | |
CIF file | Formula: - C8 H14 B O7 Rb - Comments: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Rubidium bis(2-methyllactato)borate monohydrate IUCrData 4(1) (2019) x190039 Space group: P 1 21/n 1 Cell volume: 1349.92 Cell parameters: 8.3075; 10.4488; 15.563; 90; 92.202; 90; |
COD ID: 1550484 | |
CIF file | Formula: - C31 H26 N4 O2 S - Comments: Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V. Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate IUCrData 4(1) (2019) x190010 Space group: P -1 Cell volume: 1313.9 Cell parameters: 10.5467; 11.6469; 12.942; 108.321; 102.108; 110.887; |
COD ID: 1550494 | |
CIF file | Formula: - As4 Ba H6 O14 - Comments: Weil, Matthias The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms IUCrData 4(1) (2019) Space group: P m a n Cell volume: 552.16 Cell parameters: 8.4638; 11.1799; 5.8353; 90; 90; 90; |
COD ID: 1550518 | |
CIF file | Formula: - C27 H17 Cl O - Comments: Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene IUCrData 4(1) (2019) x181846 Space group: P n a 21 Cell volume: 1927.1 Cell parameters: 14.0201; 17.4488; 7.8775; 90; 90; 90; |
COD ID: 1550535 | |
CIF file | Formula: - C14 H14 N2 O4 S - Comments: Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey (<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione IUCrData 4(1) (2019) x190094 Space group: P 1 21/c 1 Cell volume: 1462.1 Cell parameters: 7.2595; 27.492; 7.963; 90; 113.072; 90; |
COD ID: 1550536 | |
CIF file | Formula: - C11 H10 Cl2 N2 Zn - Comments: Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy Dichlorido(2,2'-methylenedipyridine)zinc(II) IUCrData 4(1) (2019) x190131 Space group: P 1 21/c 1 Cell volume: 1226.72 Cell parameters: 12.1865; 7.6666; 14.1087; 90; 111.467; 90; |
COD ID: 1550540 | |
CIF file | Formula: - C14 H8 N4 Pt S2 - Comments: Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W. (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II) IUCrData 4(1) (2019) x190158 Space group: P 1 21/n 1 Cell volume: 1413.4 Cell parameters: 10.087; 7.349; 19.442; 90; 101.276; 90; |
COD ID: 1550541 | |
CIF file | Formula: - C17 H11 Cl N4 O2 - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine IUCrData 4(1) (2019) x190136 Space group: P 1 21/c 1 Cell volume: 1492.5 Cell parameters: 17.8925; 7.4168; 11.5006; 90; 102.061; 90; |
COD ID: 1550542 | |
CIF file | Formula: - C10 H12 N2 Pt S2 - Comments: Ha, Kwang [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II) IUCrData 4(1) (2019) x190162 Space group: P n m a Cell volume: 1148.98 Cell parameters: 16.8696; 7.5226; 9.054; 90; 90; 90; |
COD ID: 1550543 | |
CIF file | Formula: - B4 H6 K2 O10 - Comments: Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A. Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate IUCrData 4(1) (2019) x190128 Space group: P -1 Cell volume: 454.66 Cell parameters: 7.185; 7.8479; 8.9932; 68.572; 88.393; 74.975; |
COD ID: 1550567 | |
CIF file | Formula: - C19 H20 O6 - Comments: Lee, Ji Hye; Koh, Dongsoo (<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one IUCrData 4(2) (2019) x190179 Space group: P n a 21 Cell volume: 1672.7 Cell parameters: 7.7143; 28.907; 7.501; 90; 90; 90; |
COD ID: 1550568 | |
CIF file | Formula: - C29 H25 F N2 O4 - Comments: Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate) IUCrData 4(2) (2019) x190134 Space group: P 21 21 21 Cell volume: 2467.6 Cell parameters: 9.959; 10.49; 23.62; 90; 90; 90; |
COD ID: 1550583 | |
CIF file | Formula: - C8 H13 B K O6.5 - Comments: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Potassium bis(2-methyllactato)borate hemihydrate IUCrData 4(2) (2019) x190202 Space group: C 1 2/c 1 Cell volume: 2601.9 Cell parameters: 12.3919; 10.7917; 19.9794; 90; 103.138; 90; |
COD ID: 1550584 | |
CIF file | Formula: - C21 H24 N2 O4 - Comments: Lee, Ji Hye; Koh, Dongsoo Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData 4(2) (2019) x190193 Space group: P 1 21/c 1 Cell volume: 1965.64 Cell parameters: 10.6258; 10.2217; 18.0993; 90; 90.798; 90; |
COD ID: 1550587 | |
CIF file | Formula: - C27 H17 Cl F N3 O2 S - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one IUCrData 4(2) (2019) x190170 Space group: P b c a Cell volume: 4683.7 Cell parameters: 7.9243; 23.7112; 24.927; 90; 90; 90; |
COD ID: 1550588 | |
CIF file | Formula: - C23 H17 Cl F N5 O S - Comments: El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole IUCrData 4(2) (2019) x190211 Space group: P 1 21/c 1 Cell volume: 2178.73 Cell parameters: 5.2879; 26.3742; 15.7872; 90; 98.293; 90; |
COD ID: 1550628 | |
CIF file | Formula: - C20 H17 N5 O - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde IUCrData 4(2) (2019) x190217 Space group: P -1 Cell volume: 1750.67 Cell parameters: 9.7894; 10.983; 17.2596; 93.49; 95.702; 107.729; |
COD ID: 1550645 | |
CIF file | Formula: - C22 H21 F N8 O - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide IUCrData 4(2) (2019) x190261 Space group: P n a 21 Cell volume: 2151.4 Cell parameters: 12.2574; 7.6912; 22.821; 90; 90; 90; |
COD ID: 1550646 | |
CIF file | Formula: - C25 H17 Cl F N3 S - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole IUCrData 4(2) (2019) x190218 Space group: P 1 21/c 1 Cell volume: 2106.6 Cell parameters: 11.6975; 11.0671; 16.5395; 90; 100.303; 90; |
COD ID: 1550647 | |
CIF file | Formula: - C28 H23 F N6 S - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole IUCrData 4(2) (2019) x190240 Space group: P 21 21 21 Cell volume: 2468.8 Cell parameters: 6.493; 13.8065; 27.539; 90; 90; 90; |
COD ID: 1550648 | |
CIF file | Formula: - C19 H12 N2 O3 - Comments: Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro (<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile IUCrData 4(2) (2019) x190220 Space group: P 21 21 21 Cell volume: 1495.3 Cell parameters: 10.432; 11.297; 12.688; 90; 90; 90; |
COD ID: 1550649 | |
CIF file | Formula: - C6 H15 Cl N Na O3 - Comments: Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl IUCrData 4(2) (2019) x190238 Space group: P 1 21 1 Cell volume: 475.09 Cell parameters: 7.7981; 7.2249; 8.9956; 90; 110.38; 90; |
COD ID: 1550687 | |
CIF file | Formula: - C11 H9 I N2 - Comments: Nanpo, Yuuki; Okuno, Tsunehisa 3-(4-Iodophenyl)pentanedinitrile IUCrData 4(2) (2019) x190282 Space group: P 1 21/c 1 Cell volume: 1099 Cell parameters: 6.508; 10.524; 16.047; 90; 90.507; 90; |
COD ID: 1550688 | |
CIF file | Formula: - C21 H34 O3 - Comments: Kihle, Jan Braly; Görbitz, Carl Henrik Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate IUCrData 4(2) (2019) x190289 Space group: P 1 21/c 1 Cell volume: 1955.8 Cell parameters: 9.871; 10.973; 18.067; 90; 91.908; 90; |
COD ID: 1550753 | |
CIF file | Formula: - C10 H24 Cl3 Co F N5 O - Comments: SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K. Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate IUCrData 4(3) (2019) x190327 Space group: P -1 Cell volume: 867.57 Cell parameters: 8.1712; 9.5435; 11.9771; 104.231; 99.49; 100.705; |
COD ID: 1550772 | |
CIF file | Formula: - C26 H17 Cl F N3 O S - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole IUCrData 4(3) (2019) x190359 Space group: P 1 21/c 1 Cell volume: 2262.1 Cell parameters: 6.6631; 15.2297; 22.431; 90; 96.39; 90; |
COD ID: 1550832 | |
CIF file | Formula: - C24 H18 N2 O - Comments: Ozaki, Koji; Okuno, Tsunehisa A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide IUCrData 4(4) (2019) Space group: P -1 Cell volume: 899.1 Cell parameters: 5.033; 11.682; 15.433; 96.228; 91.207; 94.27; |
COD ID: 1550833 | |
CIF file | Formula: - C10 H11 N3 O - Comments: Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G. 3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole IUCrData 4(4) (2019) x190378 Space group: P -1 Cell volume: 936.17 Cell parameters: 8.0664; 10.0476; 12.5229; 79.554; 81.137; 70.517; |
COD ID: 1550843 | |
CIF file | Formula: - C13 H17 N3 S - Comments: Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R. 4-Methyl-2-phenylpent-2-enal thiosemicarbazone IUCrData 4(4) (2019) x190436 Space group: C 1 2/c 1 Cell volume: 2699.5 Cell parameters: 30.3184; 11.0972; 8.0354; 90; 93.127; 90; |
COD ID: 1550844 | |
CIF file | Formula: - C24 H18 N4 - Comments: Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng 4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine IUCrData 4(4) (2019) x190295 Space group: P 1 c 1 Cell volume: 2730.8 Cell parameters: 12.8109; 19.708; 11.4152; 90; 108.649; 90; |
COD ID: 1550845 | |
CIF file | Formula: - C20 H34 N6 S2 - Comments: Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain 2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine IUCrData 4(4) (2019) x190441 Space group: I 41/a Cell volume: 5038.8 Cell parameters: 16.8114; 16.8114; 17.8288; 90; 90; 90; |
COD ID: 1550846 | |
CIF file | Formula: - C21 H17 N S - Comments: Crundwell, Guy; Crundwell, Hugh Ian (<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine IUCrData 4(4) (2019) x190363 Space group: P 1 21/c 1 Cell volume: 1692.1 Cell parameters: 5.9435; 22.7785; 15.091; 90; 124.087; 90; |
COD ID: 1550879 | |
CIF file | Formula: - C30 H30 O2 Si - Comments: Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R. The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one IUCrData 4(4) (2019) x190478 Space group: P -1 Cell volume: 1295.45 Cell parameters: 10.3403; 10.3926; 14.1442; 78.9928; 83.6739; 60.2736; |
COD ID: 1550880 | |
CIF file | Formula: - C21 H25 Cl N2 O4 - Comments: Wang, Ruiyao; Aquino, Manuel A.S. 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate IUCrData 4(4) (2019) x190494 Space group: P 1 c 1 Cell volume: 2088.14 Cell parameters: 8.4771; 16.0726; 15.7922; 90; 103.958; 90; |
COD ID: 1550896 | |
CIF file | Formula: - C3 H12 Mo N2 O4 - Comments: Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène Propane-1,3-diammonium molybdate IUCrData 4(4) (2019) Space group: P 1 21/c 1 Cell volume: 789.82 Cell parameters: 6.4849; 14.7539; 8.3224; 90; 97.295; 90; |
COD ID: 1550914 | |
CIF file | Formula: - C37 H35 Gd O15 - Comments: Gasque, Laura; Guzmán-Méndez, Óscar; Bernès, Sylvain Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate IUCrData 4(4) (2019) x190493 Space group: P 1 21/c 1 Cell volume: 3628.63 Cell parameters: 11.5029; 31.8022; 10.8445; 90; 113.84; 90; |
COD ID: 1550945 | |
CIF file | Formula: - C34 H24 Br2 Fe - Comments: Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T. 1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene IUCrData 4(4) (2019) x190487 Space group: P n a 21 Cell volume: 2611.5 Cell parameters: 24.2914; 14.3317; 7.5014; 90; 90; 90; |
COD ID: 1550946 | |
CIF file | Formula: - C14 H12 Cl2 O2 - Comments: Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim 3,5-Dichloro-3',4'-dimethoxybiphenyl IUCrData 4(4) (2019) x190518 Space group: P 1 21/c 1 Cell volume: 1261.14 Cell parameters: 10.8596; 15.1262; 7.904; 90; 103.749; 90; |
COD ID: 1550962 | |
CIF file | Formula: - C19 H18 N2 O4 - Comments: Forsyth, Craig M.; Nazarian, Zohreh (<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione IUCrData 4(4) (2019) x190520 Space group: P 1 21/n 1 Cell volume: 1656.78 Cell parameters: 11.0914; 13.6412; 11.9739; 90; 113.863; 90; |
COD ID: 1550970 | |
CIF file | Formula: - C8 H12 B Na O6 - Comments: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Sodium bis(2-methyllactato)borate IUCrData 4(5) (2019) Space group: P 1 21/n 1 Cell volume: 1114.8 Cell parameters: 10.1398; 10.8359; 11.2588; 90; 115.687; 90; |
COD ID: 1551017 | |
CIF file | Formula: - C12 H13 N O2 S - Comments: Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim 5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol IUCrData 4(5) (2019) x190625 Space group: P 1 21/c 1 Cell volume: 1094.96 Cell parameters: 11.8362; 11.7958; 7.8459; 90; 91.673; 90; |
COD ID: 1551018 | |
CIF file | Formula: - C29 H18 Cr2 O9 Rh2 - Comments: Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>) IUCrData 4(5) (2019) x190573 Space group: P 1 21/c 1 Cell volume: 5691.5 Cell parameters: 11.3335; 32.6839; 15.9743; 90; 105.876; 90; |
COD ID: 1551019 | |
CIF file | Formula: - C12 H11 Cl N2 O6 S - Comments: Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G. 2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate IUCrData 4(5) (2019) x190566 Space group: C 1 2/c 1 Cell volume: 2805.68 Cell parameters: 16.0043; 7.4649; 23.5799; 90; 95.161; 90; |
COD ID: 1551020 | |
CIF file | Formula: - C12 H12 O3 - Comments: Lough, Alan J.; Hill, Jarvis; Tam, William 1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one IUCrData 4(5) (2019) x190609 Space group: P b c a Cell volume: 1992.38 Cell parameters: 10.8313; 7.618; 24.1463; 90; 90; 90; |
COD ID: 1551058 | |
CIF file | Formula: - C10 H13 N3 O3 - Comments: Ruan, Yao; Zhao, Hui (<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide IUCrData 4(5) (2019) x190607 Space group: P -1 Cell volume: 562.49 Cell parameters: 7.774; 8.4772; 9.6599; 66.595; 77.917; 76.113; |
COD ID: 1551059 | |
CIF file | Formula: - C28 H32 N2 O32 S4 Zn5 - Comments: Yu, Jiamei; Wang, De-Chao; Wang, Bin Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate] IUCrData 4(5) (2019) x190667 Space group: P -1 Cell volume: 1005.17 Cell parameters: 7.3573; 11.2345; 12.9215; 74.215; 78.085; 85.178; |
COD ID: 1551060 | |
CIF file | Formula: - C12 H8 Cl2 O2 - Comments: Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim 2,3-Dichloro-3',4'-dihydroxybiphenyl IUCrData 4(5) (2019) x190662 Space group: P 1 21/n 1 Cell volume: 1043.7 Cell parameters: 6.8542; 19.9526; 7.6704; 90; 95.762; 90; |
COD ID: 1551061 | |
CIF file | Formula: - C10 H20 N2 O12 - Comments: Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène Ethylammonium hydrogen oxalate‒oxalic acid (2/1) IUCrData 4(5) (2019) x190635 Space group: C 1 2/c 1 Cell volume: 1587.34 Cell parameters: 21.1667; 6.6243; 11.3247; 90; 91.509; 90; |
COD ID: 1551062 | |
CIF file | Formula: - C5 H8 N2 O S - Comments: Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W. 2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one IUCrData 4(5) (2019) x190613 Space group: P 1 21/n 1 Cell volume: 735.01 Cell parameters: 6.944; 12.1354; 8.8283; 90; 98.888; 90; |
COD ID: 1551069 | |
CIF file | Formula: - C4 H11 N5 O6 S - Comments: Tapmeyer, Lukas; Prill, Dragica 6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate IUCrData 4(5) (2019) x190689 Space group: P -1 Cell volume: 480.36 Cell parameters: 7.0128; 7.9882; 9.0732; 74.121; 86.734; 79.29; |
COD ID: 1551092 | |
CIF file | Formula: - C24 H62 N2 O7 S - Comments: Liu, Jiapan; Di, Youying; Chen, Fengying Dodecan-1-aminium sulfate trihydrate IUCrData 4(5) (2019) x190704 Space group: P -1 Cell volume: 1546.13 Cell parameters: 6.9477; 10.8782; 20.8769; 89.11; 87.052; 78.876; |
COD ID: 1551159 | |
CIF file | Formula: - C24 H26 S2 - Comments: Garita-Salazar, Bruno; Pineda, Leslie W. 1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene IUCrData 4(5) (2019) x190677 Space group: P 1 21/c 1 Cell volume: 2018.22 Cell parameters: 8.4487; 23.7284; 10.4078; 90; 104.698; 90; |
COD ID: 1551194 | |
CIF file | Formula: - Ba H2 O4 Te - Comments: Weil, Matthias Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms IUCrData 4(5) (2019) Space group: P 1 21/a 1 Cell volume: 484.843 Cell parameters: 8.6061; 7.582; 7.7252; 90; 105.88; 90; |
COD ID: 1551244 | |
CIF file | Formula: - C13 H10 I N O - Comments: Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. (E)-4-Iodo-2-[(phenylimino)methyl]phenol IUCrData 4(6) (2019) Space group: P c a 21 Cell volume: 1173 Cell parameters: 7.0848; 26.422; 6.2664; 90; 90; 90; |
COD ID: 1551354 | |
CIF file | Formula: - C32 H44 Co N6 O4 S2 - Comments: Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II) IUCrData 4(6) (2019) x190812 Space group: P 1 21/c 1 Cell volume: 3606.1 Cell parameters: 23.194; 9.825; 16.475; 90; 106.154; 90; |
COD ID: 1551445 | |
CIF file | Formula: - C10 H13 Cl N2 O4 - Comments: Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G. 2-Amino-6-chloropyridine‒glutaric acid (1/1) IUCrData 4(6) (2019) x190781 Space group: P 1 21/c 1 Cell volume: 1163 Cell parameters: 14.7115; 4.9598; 17.3105; 90; 112.96; 90; |
COD ID: 1551865 | |
CIF file | Formula: - C5 H6 N2 O2 - Comments: Portalone, Gustavo 6-Methyluracil: a redetermination of polymorph (II) IUCrData 4(6) (2019) x190861 Space group: C 1 2/c 1 Cell volume: 1111.2 Cell parameters: 20.572; 3.9052; 14.811; 90; 110.95; 90; |
COD ID: 1552081 | |
CIF file | Formula: - C18 H15 I Si - Comments: Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael Iodo(triphenyl)silane IUCrData 4(7) (2019) x190959 Space group: C 1 2/c 1 Cell volume: 3294.4 Cell parameters: 16.0488; 11.2984; 19.648; 90; 112.379; 90; |
COD ID: 1552082 | |
CIF file | Formula: - C18 H16 Cd2 O12 - Comments: Gaskin, Gabrielle J.; LaDuca, Robert L. Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)] IUCrData 4(7) (2019) Space group: P -1 Cell volume: 961.3 Cell parameters: 6.3966; 11.7504; 13.3579; 104.407; 96.978; 93.267; |
COD ID: 1552104 | |
CIF file | Formula: - C14 H14 Cl F N2 O2 S - Comments: Shraddha, K. N.; Devika, S.; Begum, Noor Shahina Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate IUCrData 4(7) (2019) x190960 Space group: P -1 Cell volume: 745.18 Cell parameters: 7.2599; 9.4979; 11.9596; 106.149; 90.236; 108.939; |
COD ID: 1552105 | |
CIF file | Formula: - C8 H20 B O10 - Comments: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Bis(2-methyllactato)borate tetrahydrate IUCrData 4(7) (2019) x190982 Space group: P 21 21 2 Cell volume: 772.84 Cell parameters: 7.0809; 16.7912; 6.5001; 90; 90; 90; |
COD ID: 1552106 | |
CIF file | Formula: - C26 H38 O15 - Comments: Bollard, H. E.; Banwell, M. G.; Ward, J. S. (2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate IUCrData 4(7) (2019) x190986 Space group: P 1 21 1 Cell volume: 1475.96 Cell parameters: 11.1629; 8.7778; 15.3748; 90; 101.558; 90; |
COD ID: 1552113 | |
CIF file | Formula: - C22 H26 Br2 Cl2 N4 O Pd - Comments: Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate IUCrData 4(7) (2019) x190899 Space group: P 21 21 21 Cell volume: 2674.65 Cell parameters: 17.667; 12.8871; 11.7476; 90; 90; 90; |
COD ID: 1552114 | |
CIF file | Formula: - C21 H16 O2 - Comments: McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O. 7-(Biphenyl-4-yl)-6-hydroxyindan-1-one IUCrData 4(7) (2019) x190951 Space group: P 1 21/c 1 Cell volume: 1497.9 Cell parameters: 9.384; 11.032; 14.827; 90; 102.609; 90; |
COD ID: 1552117 | |
CIF file | Formula: - C32 H22 F12 N4 O2 - Comments: Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A. (1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate IUCrData 4(7) (2019) x191010 Space group: P b c n Cell volume: 3408.5 Cell parameters: 13.479; 11.213; 22.552; 90; 90; 90; |
COD ID: 1552118 | |
CIF file | Formula: - C12 H6 Cl4 I2 - Comments: Bosch, Eric 1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate IUCrData 4(7) (2019) x190993 Space group: P -1 Cell volume: 373.69 Cell parameters: 5.4399; 6.3599; 11.0232; 96.702; 92.728; 98.599; |
COD ID: 1552119 | |
CIF file | Formula: - C12 H8 N4 O2 - Comments: Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G. 5-Amino-6-nitro-1,10-phenanthroline IUCrData 4(7) (2019) x191016 Space group: P b c a Cell volume: 2019.4 Cell parameters: 14.265; 8.06; 17.564; 90; 90; 90; |
COD ID: 1552129 | |
CIF file | Formula: - C8 H5 Cl F3 N O - Comments: Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one IUCrData 4(7) (2019) x191025 Space group: P 1 21/c 1 Cell volume: 844.24 Cell parameters: 12.7307; 9.0363; 7.4742; 90; 100.924; 90; |
COD ID: 1552130 | |
CIF file | Formula: - C10 H26 I2 N4 O Pd - Comments: Ha, Kwang (1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate IUCrData 4(7) (2019) x191032 Space group: P 1 21/n 1 Cell volume: 1786.61 Cell parameters: 9.3993; 13.7266; 13.8797; 90; 93.9017; 90; |
COD ID: 1552132 | |
CIF file | Formula: - C16 H19 N Se - Comments: Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P. (<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine IUCrData 4(7) (2019) x191029 Space group: P 21 21 21 Cell volume: 1496.15 Cell parameters: 5.767; 8.1908; 31.6737; 90; 90; 90; |
COD ID: 1552133 | |
CIF file | Formula: - C16 H16 Cl2 N2 O2 S - Comments: Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael 3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole IUCrData 4(7) (2019) x191046 Space group: P -1 Cell volume: 811.94 Cell parameters: 8.3836; 8.478; 13.305; 97.779; 101.929; 114.967; |
COD ID: 1552134 | |
CIF file | Formula: - C42 H46 Ag2 N4 O4 - Comments: Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)} IUCrData 4(7) (2019) x191003 Space group: P -1 Cell volume: 956.6 Cell parameters: 9.078; 10.473; 12.236; 65.065; 77.42; 65.229; |
COD ID: 1552135 | |
CIF file | Formula: - C31 H30 O6 - Comments: Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke 8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine IUCrData 4(7) (2019) x191018 Space group: P -1 Cell volume: 1226.25 Cell parameters: 9.7053; 11.0901; 12.4156; 68.0282; 81.7012; 86.4672; |
COD ID: 1552143 | |
CIF file | Formula: - C9 H6 O4 Zn - Comments: Jia, Jason; LaDuca, Robert L. Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)] IUCrData 4(7) (2019) x191014 Space group: P c a 21 Cell volume: 808.54 Cell parameters: 9.6314; 4.8612; 17.269; 90; 90; 90; |
COD ID: 1552164 | |
CIF file | Formula: - C73.5 H57.5 Cl4.5 N4 O14 Sn4 - Comments: Butler, Patrick Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane IUCrData 4(8) (2019) Space group: P -1 Cell volume: 7689 Cell parameters: 12.8262; 22.1075; 28.9552; 72.349; 79.8; 89.827; |
COD ID: 1552238 | |
CIF file | Formula: - C17 H12 Cl Fe N O - Comments: Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I. 5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole IUCrData 4(8) (2019) x191096 Space group: P 1 21 1 Cell volume: 678.29 Cell parameters: 5.7854; 9.2974; 12.6443; 90; 94.217; 90; |
COD ID: 1552239 | |
CIF file | Formula: - C7 H4 N2 O3 S - Comments: Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen 6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione IUCrData 4(8) (2019) x191119 Space group: P 1 21/n 1 Cell volume: 789.4 Cell parameters: 4.576; 15.755; 11.134; 90; 100.45; 90; |
COD ID: 1552261 | |
CIF file | Formula: - C8 H15 N3 S - Comments: Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni 1-(Cycloheptylidene)thiosemicarbazide IUCrData 4(8) (2019) x191153 Space group: P 1 21/n 1 Cell volume: 1991.5 Cell parameters: 12.7584; 11.706; 13.3452; 90; 92.273; 90; |
COD ID: 1552276 | |
CIF file | Formula: - C17 H16 N2 O3 - Comments: Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P. Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate IUCrData 4(1) (2019) x190054 Space group: P -1 Cell volume: 765.64 Cell parameters: 8.2151; 9.285; 11.6086; 108.184; 103.004; 105.089; |
COD ID: 1552281 | |
CIF file | Formula: - C16 H12 - Comments: Detert, Heiner; Schollmeyer, Dieter 5,10-Dihydroindeno[2,1-<i>a</i>]indene IUCrData 4(8) (2019) x191179 Space group: P -1 Cell volume: 1081.1 Cell parameters: 7.5009; 7.6819; 19.387; 99.733; 100.641; 90.523; |
COD ID: 1552297 | |
CIF file | Formula: - C10 H18 Co K N5 O7 S4 - Comments: Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O IUCrData 4(9) (2019) x191142 Space group: P 21 21 21 Cell volume: 2079.98 Cell parameters: 9.3713; 14.1059; 15.7347; 90; 90; 90; |
COD ID: 1552298 | |
CIF file | Formula: - C6 H5 O3 P Zn - Comments: Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers Poly[(μ~4~-phenylphosphonato)zinc(II)] IUCrData 4(9) (2019) x191222 Space group: P 1 21/c 1 Cell volume: 777.56 Cell parameters: 14.8549; 5.1581; 10.5471; 90; 105.816; 90; |
COD ID: 1552299 | |
CIF file | Formula: - C12 H8 Cl2 O2 - Comments: Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim 3-(3,5-Dichlorophenyl)benzene-1,2-diol IUCrData 4(9) (2019) x191202 Space group: P 1 21/c 1 Cell volume: 1079.53 Cell parameters: 6.2198; 16.9271; 10.446; 90; 101.013; 90; |
COD ID: 1552300 | |
CIF file | Formula: - C17 H20 O5 - Comments: Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R. 3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol IUCrData 4(9) (2019) x191212 Space group: P -1 Cell volume: 1474.34 Cell parameters: 7.5318; 11.0092; 18.1896; 85.6; 87.945; 78.702; |
COD ID: 1552301 | |
CIF file | Formula: - C34 H35 N O4 - Comments: Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying 7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine IUCrData 4(9) (2019) x191205 Space group: P 1 21/c 1 Cell volume: 2849.6 Cell parameters: 9.1797; 30.203; 11.0131; 90; 111.056; 90; |
COD ID: 1552316 | |
CIF file | Formula: - C18 H16 Br4 Mn N2 - Comments: Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin Bis(quinolinium) tetrabromidomanganate(II) IUCrData 4(9) (2019) x191231 Space group: C 1 2/c 1 Cell volume: 2113.69 Cell parameters: 17.4314; 9.1871; 13.227; 90; 93.7501; 90; |
COD ID: 1552317 | |
CIF file | Formula: - C14 H20 N2 O3 - Comments: Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A. 1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione IUCrData 4(9) (2019) x191209 Space group: P -1 Cell volume: 1393.5 Cell parameters: 10.2673; 11.885; 12.839; 90.601; 108.694; 108.797; |
COD ID: 1552318 | |
CIF file | Formula: - C6 H10 Cd O6 - Comments: Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng Poly[di(μ~2~-2-hydroxypropanoato)cadmium] IUCrData 4(9) (2019) x191255 Space group: I b a 2 Cell volume: 1850.8 Cell parameters: 10.238; 19.104; 9.463; 90; 90; 90; |
COD ID: 1552332 | |
CIF file | Formula: - C41 H72 Cs2 Mo N4 O17 - Comments: Kaas, Marina; Korber, Nikolaus Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~] IUCrData 4(9) (2019) x191244 Space group: P 1 21/n 1 Cell volume: 5207.49 Cell parameters: 13.2243; 16.1431; 24.3966; 90; 90.958; 90; |
COD ID: 1552355 | |
CIF file | Formula: - C44 H44 N4 O2 S2 - Comments: Selvakumar, Jayaraman; Arumugam, Kuppuswamy 1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione IUCrData 4(9) (2019) x191268 Space group: I m -3 Cell volume: 5933.5 Cell parameters: 18.1038; 18.1038; 18.1038; 90; 90; 90; |
COD ID: 1552356 | |
CIF file | Formula: - C21 H18 O4 - Comments: Sung, Jiha (<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one IUCrData 4(9) (2019) x191281 Space group: P n a 21 Cell volume: 1618.8 Cell parameters: 14.822; 5.2416; 20.8364; 90; 90; 90; |
COD ID: 1552369 | |
CIF file | Formula: - C6 H3 Br N2 - Comments: Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke 3-Bromopyridine-2-carbonitrile IUCrData 4(10) (2019) x191326 Space group: P 1 21/c 1 Cell volume: 627.88 Cell parameters: 7.8821; 11.748; 7.4169; 90; 113.906; 90; |
COD ID: 1552370 | |
CIF file | Formula: - C16 H16 N2 O6 - Comments: El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen 3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one) IUCrData 4(10) (2019) x191348 Space group: C 1 2/c 1 Cell volume: 1494.8 Cell parameters: 27.797; 3.975; 14.4569; 90; 110.642; 90; |
COD ID: 1552478 | |
CIF file | Formula: - C12 H5 N O10 Os3 - Comments: Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M. Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>) IUCrData 4(10) (2019) x191386 Space group: P 21 21 21 Cell volume: 1731.95 Cell parameters: 9.5647; 11.59555; 15.6161; 90; 90; 90; |
COD ID: 1552479 | |
CIF file | Formula: - C23 H27 Cl N2 O2 - Comments: Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B. 1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride IUCrData 4(10) (2019) x191390 Space group: P 1 21/c 1 Cell volume: 2134.2 Cell parameters: 13.595; 14.337; 10.958; 90; 92.23; 90; |
COD ID: 1552480 | |
CIF file | Formula: - C16 H20 N4 - Comments: Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke 4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile IUCrData 4(10) (2019) x191369 Space group: P -1 Cell volume: 1449.57 Cell parameters: 8.7319; 11.3091; 16.122; 69.599; 77.168; 81.042; |
COD ID: 1552550 | |
CIF file | Formula: - C14 H11 Cl2 N O2 - Comments: Pal, Tarun Kumar; Alam, Md Ashraful; Hossain, Md Dulal; Paul, Subrata; Miyatake, Ryuta; Sheikh, Md Chanmiya 2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone IUCrData 4(10) (2019) x191401 Space group: P 1 21/n 1 Cell volume: 2538.31 Cell parameters: 16.6119; 6.83947; 22.5749; 90; 98.255; 90; |
COD ID: 1552551 | |
CIF file | Formula: - C22 H27 N O6 - Comments: Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen 9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate IUCrData 4(10) (2019) x191408 Space group: P 21 21 21 Cell volume: 2006.22 Cell parameters: 9.8947; 10.6554; 19.0286; 90; 90; 90; |
COD ID: 1552552 | |
CIF file | Formula: - C46 H48 Mg N2 O3 - Comments: Al-Masri, Harbi Tomah Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II) IUCrData 4(10) (2019) x191412 Space group: P -1 Cell volume: 1878.9 Cell parameters: 9.5014; 13.801; 15.834; 66.375; 89.911; 81.735; |
COD ID: 1552756 | |
CIF file | Formula: - C30 H29 F6 O3 P2 - Comments: Traver, Joseph R.; Guillet, Gary L.; Hillesheim, Patrick C. (4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate IUCrData 4(11) (2019) x191478 Space group: P -1 Cell volume: 1498.32 Cell parameters: 10.3724; 11.1647; 14.1562; 85.454; 71.125; 74.999; |
COD ID: 1552757 | |
CIF file | Formula: - C18 H20 N4 O4 - Comments: Crundwell, Hugh I.; Grimmett, Rhiannon I.; Crundwell, Guy; Westcott, Barry L. 1,4-Bis(2-nitrobenzyl)piperazine IUCrData 4(11) (2019) Space group: P 1 21/c 1 Cell volume: 899.71 Cell parameters: 6.0338; 12.9814; 11.489; 90; 91.185; 90; |
COD ID: 1552864 | |
CIF file | Formula: - C18 H30 N2 O5 - Comments: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate IUCrData 4(11) (2019) x191469 Space group: P 1 21/n 1 Cell volume: 1914.8 Cell parameters: 8.3495; 12.5138; 18.6631; 90; 100.902; 90; |
COD ID: 1552865 | |
CIF file | Formula: - C12 H11 N3 O2 S - Comments: Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar 2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide IUCrData 4(11) (2019) x191501 Space group: P b c a Cell volume: 2409.75 Cell parameters: 15.0751; 7.6891; 20.7891; 90; 90; 90; |
COD ID: 1552920 | |
CIF file | Formula: - C22 H22 O5 - Comments: Cabezas, Jorge A.; Fernandez, Cristian Saul Campos Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate IUCrData 4(11) (2019) x191526 Space group: P -1 Cell volume: 1875.34 Cell parameters: 9.9461; 12.151; 16.8171; 105.006; 94.22; 104.926; |
COD ID: 1552921 | |
CIF file | Formula: - C8 H7 N2 O2.5 S - Comments: Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich 5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate IUCrData 4(11) (2019) x191532 Space group: I 1 2/a 1 Cell volume: 1714.4 Cell parameters: 16.3881; 4.6912; 22.4928; 90; 97.512; 90; |
COD ID: 1552938 | |
CIF file | Formula: - C21 H17 N3 O2 - Comments: Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha 2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde IUCrData 4(11) (2019) x191525 Space group: P 1 21/n 1 Cell volume: 1734.2 Cell parameters: 14.013; 5.4123; 22.901; 90; 93.157; 90; |
COD ID: 1552939 | |
CIF file | Formula: - C12 H28 In N2 Na O8 S2 - Comments: Yoshinari, Nobuto; Konno, Takumi Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate IUCrData 4(11) (2019) Space group: P 32 Cell volume: 6324.7 Cell parameters: 13.3725; 13.3725; 40.84; 90; 90; 120; |
COD ID: 1552940 | |
CIF file | Formula: - C69 H50 Cl2 O8 S2 - Comments: Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G. 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate IUCrData 4(11) (2019) x191394 Space group: P -1 Cell volume: 2828.35 Cell parameters: 13.7369; 13.8077; 16.4824; 78.442; 68.211; 80.216; |
COD ID: 1552941 | |
CIF file | Formula: - C16 H44 D4 Mo8 N4 O30 - Comments: Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L. [Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate IUCrData 4(11) (2019) Space group: P 1 21/n 1 Cell volume: 2035.8 Cell parameters: 10.139; 11.35; 17.815; 90; 96.773; 90; |
COD ID: 1556407 | |
CIF file | Formula: - C9 H7 N O2 - Comments: Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge 1-Nitro-4-(1-propyn-1-yl)benzene IUCrData 4(11) (2019) x191585 Space group: I 1 2/a 1 Cell volume: 769.6 Cell parameters: 7.3633; 12.0641; 8.9185; 90; 103.738; 90; |
COD ID: 1556408 | |
CIF file | Formula: - Br F4 Rb - Comments: Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data IUCrData 4(11) (2019) Space group: I 4/m c m Cell volume: 454.95 Cell parameters: 6.2991; 6.2991; 11.4659; 90; 90; 90; |
COD ID: 1556637 | |
CIF file | Formula: - C16 H24 N2 O2 - Comments: Tapmeyer, Lukas; Beske, Maurice; Plackmeyer, Jörn 1,1,3,3-Tetraethyl-5-nitroisoindoline IUCrData 4(12) (2019) x191629 Space group: P 1 21/n 1 Cell volume: 1531.43 Cell parameters: 9.0277; 19.9356; 9.4811; 90; 116.169; 90; |
COD ID: 1556638 | |
CIF file | Formula: - C9 H11 Mn N5 S3 - Comments: Peppel, Tim; Köckerling, Martin Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]] IUCrData 4(12) (2019) x191659 Space group: P 1 21/c 1 Cell volume: 1484.66 Cell parameters: 9.9355; 17.025; 9.7743; 90; 116.107; 90; |
COD ID: 1556639 | |
CIF file | Formula: - C18 H16 N2 O2 - Comments: Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K. 5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde) IUCrData 4(12) (2019) x191660 Space group: P -1 Cell volume: 751.66 Cell parameters: 7.0679; 9.6856; 12.151; 101.56; 93.302; 111.27; |
COD ID: 1556702 | |
CIF file | Formula: - C42 H38 F4 N8 Ni O8 - Comments: Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate IUCrData 4(12) (2019) x191688 Space group: P b c a Cell volume: 8145.3 Cell parameters: 17.0353; 18.7759; 25.4659; 90; 90; 90; |
COD ID: 1556734 | |
CIF file | Formula: - C31 H24 Br2 Cl2 N2 O - Comments: Devika, S.; Shraddha, K. N.; Begum, Noor Shahina 2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol IUCrData 4(12) (2019) x191672 Space group: C 1 2/c 1 Cell volume: 6236.5 Cell parameters: 17.7619; 12.7435; 28.2194; 90; 102.478; 90; |
COD ID: 1556895 | |
CIF file | Formula: - C42 H19 F16 Os P S4 - Comments: Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph IUCrData 4(12) (2019) x191622 Space group: P 1 21/c 1 Cell volume: 4266.2 Cell parameters: 12.4008; 13.8892; 25.2321; 90; 100.991; 90; |
COD ID: 1556896 | |
CIF file | Formula: - C52 H50 O8 P2 - Comments: Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin 6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate IUCrData 4(12) (2019) x191636 Space group: P 1 21/c 1 Cell volume: 4389.2 Cell parameters: 25.1072; 8.8634; 21.3401; 90; 112.444; 90; |
COD ID: 1556897 | |
CIF file | Formula: - C12 H10 N2 O2 S - Comments: Alicea-Velázquez, Nilda L.; Crundwell, Guy (<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine IUCrData 4(12) (2019) x191601 Space group: P 1 21/c 1 Cell volume: 1155.02 Cell parameters: 13.5979; 7.3148; 12.5931; 90; 112.763; 90; |
COD ID: 1556898 | |
CIF file | Formula: - C29 H26 Cl N O4 - Comments: Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData 4(12) (2019) x191644 Space group: P 1 21/n 1 Cell volume: 2584.9 Cell parameters: 10.519; 22.059; 11.246; 90; 97.867; 90; |
COD ID: 1556953 | |
CIF file | Formula: - C24 H16 Cl4 - Comments: Detert, Heiner; Schollmeyer, Dieter 5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate IUCrData 4(2) (2019) x190236 Space group: I 1 2/c 1 Cell volume: 3961.5 Cell parameters: 13.7822; 10.7752; 27.0787; 90; 99.901; 90; |
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