Crystallography Open Database
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Searching journal of publication like 'IUCrData' volume of publication is 3
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1549038 | CIF HKL Paper | C13 H18 F N O5 | P 1 21 1 | 10.561; 5.156; 12.504 90; 90.606; 90 | 680.8 | Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P. 1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<small>D</small>-<i>arabino</i>-hexulose IUCrData, 2018, 3, x180369 |
| 1549065 | CIF HKL Paper | C14 H11 Br2 N O2 | P 1 21/n 1 | 16.7219; 6.90389; 23.0811 90; 99.502; 90 | 2628.07 | Pal, Tarun Kumar; Hossain, Md Dulal; Sheikh, Md Chanmiya; Miyatake, Ryuta; Alam, Md Ashraful 2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone IUCrData, 2018, 3, x180388 |
| 1549066 | CIF HKL Paper | C15 H21 N3 O2 S | P c c n | 29.5823; 15.1971; 7.4303 90; 90; 90 | 3340.4 | Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K. 4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent IUCrData, 2018, 3, x180383 |
| 1549074 | CIF HKL Paper | C14 H7 Br2 N O2 | P n m a | 15.116; 6.8728; 12.7492 90; 90; 90 | 1324.5 | El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M. 5-Bromo-1-(4-bromophenyl)isatin IUCrData, 2018, 3, x180426 |
| 1549075 | CIF HKL Paper | C24 H22 N4 O2 S | P 1 21/c 1 | 6.2938; 10.9254; 31.229 90; 90.221; 90 | 2147.4 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M. 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone IUCrData, 2018, 3, x180402 |
| 1549076 | CIF HKL Paper | C20 H18 N8 O2 | C 1 2/c 1 | 61.5399; 11.8988; 8.2661 90; 93.301; 90 | 6042.8 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide IUCrData, 2018, 3, x180424 |
| 1549125 | CIF HKL Paper | C16 H12 N2 O | P -1 | 4.0205; 11.316; 13.781 85.067; 88.517; 84.335 | 621.5 | Umezono, Satoru; Okuno, Tsunehisa 5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol IUCrData, 2018, 3, x180454 |
| 1549126 | CIF HKL | C20 H20 N2 O2 | P 1 21/c 1 | 15.6203; 8.6349; 13.9758 90; 108.948; 90 | 1782.9 | Yousufuddin, Muhammed; Morales, Ruth; Cassis, Waleed; Brown, Gary W.; Singh, Ravi P.; Lovely, Carl J. [1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine IUCrData, 2018, 3, x180389 |
| 1549127 | CIF HKL Paper | C33 H40 N4 O9 S3 | P -1 | 10.5058; 12.8929; 14.0425 80.187; 73.218; 89.188 | 1793.17 | Amirthakumar, C.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G. 2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate) IUCrData, 2018, 3, x180437 |
| 1549128 | CIF HKL Paper | C37 H28 Br Cl N8 S | P 1 21/n 1 | 10.4422; 13.3065; 24.0683 90; 90.181; 90 | 3344.25 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M. 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole IUCrData, 2018, 3, x180443 |
| 1549129 | CIF HKL Paper | C2 H6 Ni O6 | P 1 21/c 1 | 8.5806; 7.0202; 9.2257 90; 97.551; 90 | 550.91 | Weil, Matthias Redetermination of nickel(II) formate dihydrate IUCrData, 2018, 3, x180428 |
| 1549130 | CIF HKL Paper | C6 H5 F N2 O2 | P 1 21/n 1 | 12.1967; 3.7559; 14.4539 90; 102.143; 90 | 647.31 | Moorthy, K.; NizamMohideen, M.; Vetrivel, S.; Vinoth, E.; Arun, A. 2-Fluoro-5-nitroaniline IUCrData, 2018, 3, x180425 |
| 1549131 | CIF HKL Paper | C37 H28 Br2 N8 S | P 1 21/n 1 | 10.3624; 13.5082; 24.0262 90; 90.457; 90 | 3363.02 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M. 4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole IUCrData, 2018, 3, x180449 |
| 1549173 | CIF HKL Paper | C8 H5 Cl N2 Se | P 1 21/c 1 | 10.3353; 14.0058; 5.954 90; 97.32; 90 | 854.84 | Ravichandran, K.; Ranjith, S.; Sankari, S.; Beemarao, M.; Ponnuswamy, M. N. 4-(4-Chlorophenyl)-1,2,3-selenadiazole IUCrData, 2018, 3, x180462 |
| 1549174 | CIF HKL Paper | C14 H13 N O | P 1 21/n 1 | 4.6976; 19.3656; 12.3116 90; 95.831; 90 | 1114.21 | Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. (<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol IUCrData, 2018, 3, x180464 |
| 1549176 | CIF HKL Paper | C6 H6 N4 O | P -1 | 3.8342; 5.5701; 15.0346 93.396; 92.812; 92.361 | 319.83 | El Hafi, Mohamed; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one IUCrData, 2018, 3, x180483 |
| 1549177 | CIF HKL Paper | C21 H14 N6 | P 1 21/c 1 | 8.556; 8.982; 22.13 90; 98.28; 90 | 1683 | Wang, Jianwei; Yuan, Caixia 4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine IUCrData, 2018, 3, x180492 |
| 1549178 | CIF HKL Paper | C17 H41 B Co N O P2 | P 1 21/n 1 | 8.0249; 27.32; 10.3546 90; 97.101; 90 | 2252.73 | Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias {Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I) IUCrData, 2018, 3, x180471 |
| 1549340 | CIF HKL Paper | C11 H6 F5 N O | P b c m | 13.1081; 11.1491; 7.1798 90; 90; 90 | 1049.3 | Zhao, Hui 3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole IUCrData, 2018, 3, x180445 |
| 1549341 | CIF HKL Paper | C56 H50 N2 | P -1 | 10.4026; 13.6115; 16.5769 105.502; 105.796; 94.038 | 2150.3 | Adas, Sonya K.; Peloquin, Andrew J.; Iacono, Scott T.; Balaich, Gary J. 9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate IUCrData, 2018, 3, x180553 |
| 1549342 | CIF HKL Paper | C16 H19 N5 O | P 1 21/c 1 | 15.8299; 10.627; 9.2041 90; 98.084; 90 | 1532.97 | Abad, Nadeem; Ramli, Youssef; Sebbar, Nada Kheira; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P. 1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one IUCrData, 2018, 3, x180482 |
| 1549343 | CIF HKL Paper | C18 H22 | P -1 | 7.9315; 8.2047; 12.3474 108.513; 98.09; 103.805 | 719.18 | Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten 1,2-Bis(3,5-dimethylphenyl)ethane IUCrData, 2018, 3, x180636 |
| 1549344 | CIF HKL Paper | C15 H14 Br2 | P 1 21 1 | 7.4526; 5.8441; 16.278 90; 101.808; 90 | 694 | Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T. 1,3-Bis(4-bromophenyl)propane IUCrData, 2018, 3, x180563 |
| 1549345 | CIF HKL Paper | C15 H12 Cl N O2 | P -1 | 7.2162; 8.0068; 11.65 80.123; 84.57; 88.084 | 660.1 | Zhong, Ling; Shi, Jianyou; Zhong, Lei; Wei, Xin; Xhang, Hongjia; Cheng, Liang; Bai, Lan 2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one IUCrData, 2018, 3, x180587 |
| 1549346 | CIF HKL Paper | C16 H20 N2 O2 | P -1 | 8.8546; 8.9841; 9.5523 98.481; 96.412; 106.772 | 710 | El Foujji, Laila; Sebhaoui, Jihad; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T. (3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2018, 3, x180515 |
| 1549347 | CIF HKL Paper | C17 H16 O | P 1 21/c 1 | 9.6483; 10.606; 13.4332 90; 104.034; 90 | 1333.59 | Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin 1-Methoxy-1,1-diphenylbut-2-yne IUCrData, 2018, 3, x180415 |
| 1549348 | CIF HKL Paper | C13 H15 N5 O2 S | P b c a | 18.2763; 7.5909; 20.0571 90; 90; 90 | 2782.59 | Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide IUCrData, 2018, 3, x180600 |
| 1549349 | CIF HKL Paper | C18 H16 N2 O3 | P 1 21/c 1 | 18.171; 4.9012; 16.9492 90; 91.923; 90 | 1508.64 | Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate IUCrData, 2018, 3, x180519 |
| 1549350 | CIF HKL Paper | C27 H37 Cl N2 O4 | P c c n | 11.0729; 12.6284; 19.6141 90; 90; 90 | 2742.7 | Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S. 1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate IUCrData, 2018, 3, x180516 |
| 1549351 | CIF HKL Paper | C12 H14 N2 O3 | P -1 | 4.8082; 8.26; 14.413 84.072; 81.473; 85.14 | 561.7 | Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate IUCrData, 2018, 3, x180596 |
| 1549352 | CIF HKL Paper | C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 | P -1 | 12.1395; 13.8587; 17.366 85.994; 80.863; 66.136 | 2637.9 | Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8) IUCrData, 2018, 3, x180623 |
| 1549353 | CIF HKL Paper | C21.2 H22.4 Cl6.4 Co3 | P -1 | 18.1419; 19.9967; 20.3048 79.631; 78.398; 63.844 | 6441.7 | Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B. Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate IUCrData, 2018, 3, x180552 |
| 1549354 | CIF HKL Paper | C17 H14 N2 O2 | P 1 21 1 | 12.7853; 7.0167; 15.4215 90; 95.718; 90 | 1376.59 | Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one IUCrData, 2018, 3, x180610 |
| 1549355 | CIF HKL Paper | C28 H20 Br2 O | P 21 21 21 | 9.4301; 9.4561; 24.8572 90; 90; 90 | 2216.6 | Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran IUCrData, 2018, 3, x180416 |
| 1549356 | CIF HKL Paper | C56 H52 As2 Cl6 N4 Zr | P 1 21/c 1 | 9.6505; 19.378; 15.1026 90; 97.849; 90 | 2797.8 | Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate IUCrData, 2018, 3, x180528 |
| 1549358 | CIF HKL Paper | C16 H24 Br4 N2 Zn | P n a 21 | 11.0702; 26.0585; 7.7302 90; 90; 90 | 2229.95 | Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Bis(4-methylbenzylammonium) tetrabromidozincate IUCrData, 2018, 3, x180648 |
| 1549359 | CIF HKL Paper | Br F4 K | I 4/m c m | 6.0999; 6.0999; 11.0509 90; 90; 90 | 411.19 | Ivlev, Sergei I.; Kraus, Florian Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data IUCrData, 2018, 3 |
| 1549381 | CIF HKL Paper | C15 H11 N3 O4 | P 1 21/c 1 | 12.8698; 8.1365; 13.0309 90; 107.275; 90 | 1302.98 | AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A. 5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one IUCrData, 2018, 3, x180664 |
| 1549393 | CIF HKL Paper | C24 H22 N2 O2 P2 | P -1 | 8.6901; 10.1547; 12.6282 71.352; 84.442; 81.817 | 1043.56 | Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe 1,1-Bis(diphenylphosphoryl)hydrazine IUCrData, 2018, 3, x180679 |
| 1549394 | CIF HKL Paper | C22 H32 N2 O3 | P 1 21/c 1 | 28.061; 4.765; 15.3667 90; 91.503; 90 | 2053.98 | Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate IUCrData, 2018, 3, x180680 |
| 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 |
| 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 |
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