Crystallography Open Database

Result: there are 128 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'IUCrData' volume of publication is 4

Left arrow Left arrow First | Left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1550458 CIF
HKL
Paper
C25 H24 Cl4 N2 P2 PdP 1 21/n 111.7085; 16.9319; 15.2399
90; 105.324; 90
2913.85Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe
Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate
IUCrData, 2019, 4, x181803
1550459 CIF
HKL
Paper
C12 H14 Cl N O3P 1 21/c 15.7323; 9.2537; 21.6899
90; 91.168; 90
1150.3Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel
Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
IUCrData, 2019, 4, x190016
1550460 CIF
HKL
Paper
C20 H21 N5 OP 1 2/n 112.241; 5.9386; 25.2112
90; 90.317; 90
1832.69Slassi, 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, 2019, 4, x190036
1550461 CIF
HKL
Paper
C17 H14 O2P 1 21/n 19.0801; 15.4598; 10.092
90; 109.453; 90
1335.81Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A.
5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid
IUCrData, 2019, 4, x181799
1550462 CIF
HKL
C52 H50 Cl2 N4 O7P 1 21/n 113.702; 11.349; 28.538
90; 92.999; 90
4431.7Lee, 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, 2019, 4, x190026
1550481 CIF
HKL
Paper
C23 H26 Br Cl N6P 1 21/n 116.252; 5.3787; 27.109
90; 90.551; 90
2369.6Bourichi, 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, 2019, 4, x190053
1550482 CIF
HKL
Paper
C95 H90 Cl2 F3 Fe N12 O7 SP -112.2257; 19.3422; 19.5199
88.061; 72.058; 77.104
4277.6Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert
Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
IUCrData, 2019, 4, x190015
1550483 CIF
HKL
Paper
C8 H14 B O7 RbP 1 21/n 18.3075; 10.4488; 15.563
90; 92.202; 90
1349.92Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
Rubidium bis(2-methyllactato)borate monohydrate
IUCrData, 2019, 4, x190039
1550484 CIF
HKL
Paper
C31 H26 N4 O2 SP -110.5467; 11.6469; 12.942
108.321; 102.108; 110.887
1313.9Muthuselvi, 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, 2019, 4, x190010
1550494 CIF
HKL
Paper
As4 Ba H6 O14P m a n8.4638; 11.1799; 5.8353
90; 90; 90
552.16Weil, Matthias
The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms
IUCrData, 2019, 4
1550518 CIF
HKL
C27 H17 Cl OP n a 2114.0201; 17.4488; 7.8775
90; 90; 90
1927.1Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip
14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene
IUCrData, 2019, 4, x181846
1550535 CIF
HKL
C14 H14 N2 O4 SP 1 21/c 17.2595; 27.492; 7.963
90; 113.072; 90
1462.1Faizi, 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, 2019, 4, x190094
1550536 CIF
HKL
Paper
C11 H10 Cl2 N2 ZnP 1 21/c 112.1865; 7.6666; 14.1087
90; 111.467; 90
1226.72Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy
Dichlorido(2,2'-methylenedipyridine)zinc(II)
IUCrData, 2019, 4, x190131
1550540 CIF
HKL
C14 H8 N4 Pt S2P 1 21/n 110.087; 7.349; 19.442
90; 101.276; 90
1413.4Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.
(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)
IUCrData, 2019, 4, x190158
1550541 CIF
HKL
Paper
C17 H11 Cl N4 O2P 1 21/c 117.8925; 7.4168; 11.5006
90; 102.061; 90
1492.5El-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, 2019, 4, x190136
1550542 CIF
HKL
Paper
C10 H12 N2 Pt S2P n m a16.8696; 7.5226; 9.054
90; 90; 90
1148.98Ha, Kwang
[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)
IUCrData, 2019, 4, x190162
1550543 CIF
HKL
Paper
B4 H6 K2 O10P -17.185; 7.8479; 8.9932
68.572; 88.393; 74.975
454.66Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A.
Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate
IUCrData, 2019, 4, x190128
1550567 CIF
HKL
Paper
C19 H20 O6P n a 217.7143; 28.907; 7.501
90; 90; 90
1672.7Lee, Ji Hye; Koh, Dongsoo
(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
IUCrData, 2019, 4, x190179
1550568 CIF
HKL
C29 H25 F N2 O4P 21 21 219.959; 10.49; 23.62
90; 90; 90
2467.6Li, 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, 2019, 4, x190134
1550583 CIF
HKL
Paper
C8 H13 B K O6.5C 1 2/c 112.3919; 10.7917; 19.9794
90; 103.138; 90
2601.9Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
Potassium bis(2-methyllactato)borate hemihydrate
IUCrData, 2019, 4, x190202
1550584 CIF
HKL
Paper
C21 H24 N2 O4P 1 21/c 110.6258; 10.2217; 18.0993
90; 90.798; 90
1965.64Lee, Ji Hye; Koh, Dongsoo
Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUCrData, 2019, 4, x190193
1550587 CIF
HKL
Paper
C27 H17 Cl F N3 O2 SP b c a7.9243; 23.7112; 24.927
90; 90; 90
4683.7El-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, 2019, 4, x190170
1550588 CIF
HKL
Paper
C23 H17 Cl F N5 O SP 1 21/c 15.2879; 26.3742; 15.7872
90; 98.293; 90
2178.73El-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, 2019, 4, x190211
1550628 CIF
HKL
Paper
C20 H17 N5 OP -19.7894; 10.983; 17.2596
93.49; 95.702; 107.729
1750.67El-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, 2019, 4, x190217
1550645 CIF
HKL
Paper
C22 H21 F N8 OP n a 2112.2574; 7.6912; 22.821
90; 90; 90
2151.4El-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, 2019, 4, x190261
1550646 CIF
HKL
Paper
C25 H17 Cl F N3 SP 1 21/c 111.6975; 11.0671; 16.5395
90; 100.303; 90
2106.6El-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, 2019, 4, x190218
1550647 CIF
HKL
Paper
C28 H23 F N6 SP 21 21 216.493; 13.8065; 27.539
90; 90; 90
2468.8El-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, 2019, 4, x190240
1550648 CIF
HKL
Paper
C19 H12 N2 O3P 21 21 2110.432; 11.297; 12.688
90; 90; 90
1495.3Onami, 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, 2019, 4, x190220
1550649 CIF
HKL
Paper
C6 H15 Cl N Na O3P 1 21 17.7981; 7.2249; 8.9956
90; 110.38; 90
475.09Krabbe, 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, 2019, 4, x190238
1550687 CIF
Paper
C11 H9 I N2P 1 21/c 16.508; 10.524; 16.047
90; 90.507; 90
1099Nanpo, Yuuki; Okuno, Tsunehisa
3-(4-Iodophenyl)pentanedinitrile
IUCrData, 2019, 4, x190282
1550688 CIF
HKL
Paper
C21 H34 O3P 1 21/c 19.871; 10.973; 18.067
90; 91.908; 90
1955.8Kihle, Jan Braly; Görbitz, Carl Henrik
Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate
IUCrData, 2019, 4, x190289
1550753 CIF
HKL
Paper
C10 H24 Cl3 Co F N5 OP -18.1712; 9.5435; 11.9771
104.231; 99.49; 100.705
867.57SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.
Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate
IUCrData, 2019, 4, x190327
1550772 CIF
HKL
Paper
C26 H17 Cl F N3 O SP 1 21/c 16.6631; 15.2297; 22.431
90; 96.39; 90
2262.1El-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, 2019, 4, x190359
1550832 CIF
HKL
Paper
C24 H18 N2 OP -15.033; 11.682; 15.433
96.228; 91.207; 94.27
899.1Ozaki, Koji; Okuno, Tsunehisa
A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide
IUCrData, 2019, 4
1550833 CIF
HKL
Paper
C10 H11 N3 OP -18.0664; 10.0476; 12.5229
79.554; 81.137; 70.517
936.17Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.
3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole
IUCrData, 2019, 4, x190378
1550843 CIF
HKL
Paper
C13 H17 N3 SC 1 2/c 130.3184; 11.0972; 8.0354
90; 93.127; 90
2699.5Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.
4-Methyl-2-phenylpent-2-enal thiosemicarbazone
IUCrData, 2019, 4, x190436
1550844 CIF
HKL
Paper
C24 H18 N4P 1 c 112.8109; 19.708; 11.4152
90; 108.649; 90
2730.8Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng
4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine
IUCrData, 2019, 4, x190295
1550845 CIF
HKL
Paper
C20 H34 N6 S2I 41/a16.8114; 16.8114; 17.8288
90; 90; 90
5038.8Gasque, 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, 2019, 4, x190441
1550846 CIF
HKL
Paper
C21 H17 N SP 1 21/c 15.9435; 22.7785; 15.091
90; 124.087; 90
1692.1Crundwell, Guy; Crundwell, Hugh Ian
(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine
IUCrData, 2019, 4, x190363
1550879 CIF
HKL
Paper
C30 H30 O2 SiP -110.3403; 10.3926; 14.1442
78.9928; 83.6739; 60.2736
1295.45Di 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, 2019, 4, x190478
1550880 CIF
HKL
Paper
C21 H25 Cl N2 O4P 1 c 18.4771; 16.0726; 15.7922
90; 103.958; 90
2088.14Wang, Ruiyao; Aquino, Manuel A.S.
1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
IUCrData, 2019, 4, x190494
1550896 CIF
HKL
Paper
C3 H12 Mo N2 O4P 1 21/c 16.4849; 14.7539; 8.3224
90; 97.295; 90
789.82Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène
Propane-1,3-diammonium molybdate
IUCrData, 2019, 4
1550914 CIF
HKL
Paper
C37 H35 Gd O15P 1 21/c 111.5029; 31.8022; 10.8445
90; 113.84; 90
3628.63Gasque, 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, 2019, 4, x190493
1550945 CIF
HKL
Paper
C34 H24 Br2 FeP n a 2124.2914; 14.3317; 7.5014
90; 90; 90
2611.5Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.
1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene
IUCrData, 2019, 4, x190487
1550946 CIF
HKL
Paper
C14 H12 Cl2 O2P 1 21/c 110.8596; 15.1262; 7.904
90; 103.749; 90
1261.14Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim
3,5-Dichloro-3',4'-dimethoxybiphenyl
IUCrData, 2019, 4, x190518
1550962 CIF
HKL
Paper
C19 H18 N2 O4P 1 21/n 111.0914; 13.6412; 11.9739
90; 113.863; 90
1656.78Forsyth, 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, 2019, 4, x190520
1550970 CIF
HKL
Paper
C8 H12 B Na O6P 1 21/n 110.1398; 10.8359; 11.2588
90; 115.687; 90
1114.8Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
Sodium bis(2-methyllactato)borate
IUCrData, 2019, 4
1551017 CIF
HKL
Paper
C12 H13 N O2 SP 1 21/c 111.8362; 11.7958; 7.8459
90; 91.673; 90
1094.96Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim
5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol
IUCrData, 2019, 4, x190625
1551018 CIF
HKL
Paper
C29 H18 Cr2 O9 Rh2P 1 21/c 111.3335; 32.6839; 15.9743
90; 105.876; 90
5691.5Werlé, 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, 2019, 4, x190573
1551019 CIF
HKL
Paper
C12 H11 Cl N2 O6 SC 1 2/c 116.0043; 7.4649; 23.5799
90; 95.161; 90
2805.68Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G.
2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate
IUCrData, 2019, 4, x190566

Left arrow Left arrow First | Left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!