Crystallography Open Database
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Searching journal of publication like 'IUCrData'
COD ID: 1542452 | |
CIF file | Formula: - C16 H21 F N2 O3 S - Comments: Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide IUCrData 1(1) (2016) x160013 Space group: P 1 21/c 1 Cell volume: 1604.5 Cell parameters: 11.5613; 16.4245; 8.873; 90; 107.768; 90; |
COD ID: 1542453 | |
CIF file | Formula: - C12 H11 N S - Comments: Mdluli, Velabo; Golen, James A.; Manke, David R. 2-(Phenylsulfanyl)aniline IUCrData 1(1) (2016) x152489 Space group: F d d 2 Cell volume: 4065.7 Cell parameters: 17.743; 37.3075; 6.142; 90; 90; 90; |
COD ID: 1542454 | |
CIF file | Formula: - C6 H6 Br N - Comments: Roy, Mrittika; Golen, James A.; Manke, David R. 2-Bromo-5-methylpyridine IUCrData 1(1) (2016) x160090 Space group: P 1 21/m 1 Cell volume: 320.11 Cell parameters: 6.1889; 6.614; 7.835; 90; 93.503; 90; |
COD ID: 1542455 | |
CIF file | Formula: - C10 H10 N4 O - Comments: Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. 1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde IUCrData 1(1) (2016) x160038 Space group: P b c a Cell volume: 2011.44 Cell parameters: 10.2208; 10.8693; 18.1059; 90; 90; 90; |
COD ID: 1542456 | |
CIF file | Formula: - C35 H32 Au2 Fe O P2 S - Comments: Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate IUCrData 1(1) (2016) x152492 Space group: P 1 21/n 1 Cell volume: 3221.7 Cell parameters: 13.7434; 12.6277; 18.763; 90; 98.352; 90; |
COD ID: 1542457 | |
CIF file | Formula: - C52 H36 Cd N10 O4 - Comments: Guo, Lei-Qun; Jiang, Yin-Hua Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II) IUCrData 1(1) (2016) x160063 Space group: P -1 Cell volume: 992.1 Cell parameters: 9.2984; 9.3261; 12.5747; 107.16; 103.719; 96.55; |
COD ID: 1542458 | |
CIF file | Formula: - C34 H40 B N3 O2 - Comments: Tiritiris, Ioannis; Kantlehner, Willi 2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate IUCrData 1(1) (2016) x160109 Space group: P 1 21/c 1 Cell volume: 2896.6 Cell parameters: 14.3033; 10.3598; 20.2825; 90; 105.468; 90; |
COD ID: 1542459 | |
CIF file | Formula: - C17 H19 Co - Comments: Jungk, Phillip; Spannenberg, Anke; Hapke, Marko Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I) IUCrData 1(1) (2016) x160027 Space group: P 1 21/n 1 Cell volume: 2559.55 Cell parameters: 8.0307; 14.4939; 22.2528; 90; 98.814; 90; |
COD ID: 1542460 | |
CIF file | Formula: - C8 H12 N4 O2 - Comments: Beliaev, Nikolai; Slepukhin, Pavel Crystal structure of dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine IUCrData 1(1) (2016) x152488 Space group: P 1 21/c 1 Cell volume: 1905.6 Cell parameters: 10.5015; 23.561; 7.7533; 90; 96.604; 90; |
COD ID: 1542461 | |
CIF file | Formula: - C23 H30 Cl N O4 - Comments: Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S. Tramadolium 2-chlorobenzoate IUCrData 1(1) (2016) x160014 Space group: P -1 Cell volume: 1091.8 Cell parameters: 9.205; 9.688; 12.943; 104.871; 91.465; 100.983; |
COD ID: 1542462 | |
CIF file | Formula: - C11 H13 Cl O - Comments: Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin 5-Chloro-1-phenylpentan-1-one IUCrData 1(1) (2016) x160055 Space group: P 1 21/c 1 Cell volume: 1011.64 Cell parameters: 5.2434; 25.902; 7.7027; 90; 104.756; 90; |
COD ID: 1542463 | |
CIF file | Formula: - C48 H40 Mo4 O16 P4 - Comments: Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V) IUCrData 1(1) (2016) x160036 Space group: P b c n Cell volume: 4886.9 Cell parameters: 16.1061; 19.891; 15.254; 90; 90; 90; |
COD ID: 1542464 | |
CIF file | Formula: - C23 H25 Cd N3 S4 - Comments: Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T. Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II) IUCrData 1(1) (2016) x152429 Space group: P 1 21/n 1 Cell volume: 2462.6 Cell parameters: 8.9361; 14.832; 18.968; 90; 101.613; 90; |
COD ID: 1542465 | |
CIF file | Formula: - C18 H17 Cl N2 O - Comments: Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Brighten Antony, Moonnanjilikkal; Ali Khan, Musthakeem 1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one IUCrData 1(1) (2016) x152460 Space group: P -1 Cell volume: 1579.1 Cell parameters: 11.0767; 12.067; 12.16; 90.825; 102.561; 95.142; |
COD ID: 1542466 | |
CIF file | Formula: - C20 H19 N O3 Pt - Comments: Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc {4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II) IUCrData 1(1) (2016) x152428 Space group: P 1 21/c 1 Cell volume: 1677.59 Cell parameters: 13.225; 15.0844; 8.4294; 90; 93.951; 90; |
COD ID: 1542467 | |
CIF file | Formula: - C10 H15 N O4 - Comments: Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T. 3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate IUCrData 1(1) (2016) x152453 Space group: P 1 21/c 1 Cell volume: 1059.05 Cell parameters: 7.328; 17.0138; 8.9223; 90; 107.818; 90; |
COD ID: 1542468 | |
CIF file | Formula: - C24 H30 N4 O4 - Comments: Alshawi, Jasim; Yousif, Muoayed; Timco, Grigore; Zangana, Karzan H.; Winpenny, Richard; Al-Jeboori, Mohamad J. Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate IUCrData 1(1) (2016) x160046 Space group: P 1 21/n 1 Cell volume: 1156.1 Cell parameters: 8.1476; 17.6289; 8.8692; 90; 114.835; 90; |
COD ID: 1542469 | |
CIF file | Formula: - C40 H52 Li2 N2 O4 S2 - Comments: Mdluli, Velabo; Golen, James A.; Manke, David R. Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium] IUCrData 1(1) (2016) x160130 Space group: P -1 Cell volume: 986.5 Cell parameters: 9.654; 9.9211; 11.2854; 73.537; 88.138; 72.42; |
COD ID: 1542470 | |
CIF file | Formula: - C12 H13 Cl Fe O - Comments: McAdam, C. John; Simpson, Jim 2-Chloro-1-ferrocenylethanol IUCrData 1(1) (2016) x160102 Space group: P 1 21/n 1 Cell volume: 1061.55 Cell parameters: 6.0366; 7.6215; 23.0837; 90; 91.737; 90; |
COD ID: 1542471 | |
CIF file | Formula: - C18 H26 N2 O2 - Comments: Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim 3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one) IUCrData 1(1) (2016) x152175 Space group: P -1 Cell volume: 825.65 Cell parameters: 8.1839; 9.1461; 11.7669; 106.557; 97.687; 96.63; |
COD ID: 1542472 | |
CIF file | Formula: - C16 H20 N2 O8 - Comments: Wang, Yi; Stoeckli-Evans, Helen Tetraethyl pyrazine-2,3,5,6-tetracarboxylate IUCrData 1(1) (2016) x152174 Space group: P -1 Cell volume: 445.8 Cell parameters: 5.4194; 9.0619; 9.4607; 81.285; 82.771; 77.208; |
COD ID: 1542473 | |
CIF file | Formula: - C10 H14 N8 O6.5 - Comments: Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate IUCrData 1(1) (2016) x160048 Space group: C 1 2/c 1 Cell volume: 2612.5 Cell parameters: 21.494; 6.43; 19.193; 90; 99.98; 90; |
COD ID: 1542474 | |
CIF file | Formula: - C10 H24 N6 O6 S - Comments: Tiritiris, Ioannis; Kantlehner, Willi Morpholine-4-carboxamidinium sulfate IUCrData 1(1) (2016) x160069 Space group: P 1 21/c 1 Cell volume: 1592.83 Cell parameters: 9.7194; 9.4737; 17.9416; 90; 105.386; 90; |
COD ID: 1542475 | |
CIF file | Formula: - C26 H45 Br2 N6 O1.5 - Comments: Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate IUCrData 1(1) (2016) x160047 Space group: P 1 21/c 1 Cell volume: 2932.8 Cell parameters: 12.1957; 7.9654; 30.4821; 90; 97.934; 90; |
COD ID: 1542476 | |
CIF file | Formula: - C16 H19 Cl2 N O2 Pt - Comments: Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc <i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II) IUCrData 1(1) (2016) x152176 Space group: P 1 21/n 1 Cell volume: 1702.11 Cell parameters: 15.1282; 7.25666; 16.3038; 90; 108.013; 90; |
COD ID: 1542477 | |
CIF file | Formula: - C13 H15 Cl4 N3 - Comments: Klass, Michaela; Näther, Christian; Tuczek, Felix 6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate IUCrData 1(1) (2016) x152467 Space group: P -1 Cell volume: 800.44 Cell parameters: 7.0474; 9.7775; 12.8695; 71.744; 89.177; 72.582; |
COD ID: 1542478 | |
CIF file | Formula: - Ba5.78 Cl2 F12 Pb1.22 - Comments: Weil, Matthias The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~ IUCrData 1(1) (2016) x152427 Space group: P -6 Cell volume: 403.17 Cell parameters: 10.5878; 10.5878; 4.1528; 90; 90; 120; |
COD ID: 1542479 | |
CIF file | Formula: - C17 H19 N O3 - Comments: Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig <i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate IUCrData 1(1) (2016) x152490 Space group: P 1 21/c 1 Cell volume: 1524.25 Cell parameters: 13.669; 10.817; 10.9271; 90; 109.365; 90; |
COD ID: 1542480 | |
CIF file | Formula: - C15 H13 N2 P - Comments: Duan, Lian; Ma, Fengle; Zheng, Wenjun 1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole IUCrData 1(1) (2016) x160083 Space group: P 1 21/n 1 Cell volume: 1327.38 Cell parameters: 10.2774; 7.4256; 17.4094; 90; 92.472; 90; |
COD ID: 1542481 | |
CIF file | Formula: - C14 H15 Br I N O2 - Comments: Barnes, Paul; Storey, John M. D.; Harrison, William T. A. Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate IUCrData 1(1) (2016) x152178 Space group: P -1 Cell volume: 713.42 Cell parameters: 7.3066; 7.9672; 12.8467; 72.994; 86.5; 87.152; |
COD ID: 1542482 | |
CIF file | Formula: - C18 H12 Na2 O6 S2 - Comments: Albat, Martin; Stock, Norbert Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~] IUCrData 1(1) (2016) x160039 Space group: P 1 21/c 1 Cell volume: 873.7 Cell parameters: 17.662; 8.2854; 5.9719; 90; 91.38; 90; |
COD ID: 1542483 | |
CIF file | Formula: - C10 H10 Cl2 N4 O - Comments: Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. [1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol IUCrData 1(1) (2016) x152447 Space group: P 1 21/c 1 Cell volume: 1153.82 Cell parameters: 12.1802; 7.3646; 13.9001; 90; 112.276; 90; |
COD ID: 1542484 | |
CIF file | Formula: - C14 H28 N2 O8 S2 - Comments: Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P. <small>L</small>-Methionine‒succinic acid (2/1) IUCrData 1(1) (2016) x152459 Space group: P 1 Cell volume: 491.08 Cell parameters: 5.0283; 5.058; 20.8394; 86.645; 83.338; 68.908; |
COD ID: 1542485 | |
CIF file | Formula: - C36 H40 S4 - Comments: Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane IUCrData 1(1) (2016) x152426 Space group: C 1 2/c 1 Cell volume: 3123.7 Cell parameters: 11.2972; 13.0708; 21.3833; 90; 98.4; 90; |
COD ID: 1542486 | |
CIF file | Formula: - C21 H22 Br N O4 - Comments: Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim 9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione IUCrData 1(1) (2016) x152425 Space group: C 1 c 1 Cell volume: 1802.17 Cell parameters: 16.0067; 8.9455; 16.1617; 90; 128.853; 90; |
COD ID: 1542487 | |
CIF file | Formula: - C15 H16 Br N O2 S2 - Comments: Vinduvahini, M.; Anitha, B. R.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C. (6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate IUCrData 1(1) (2016) x160015 Space group: P 1 21/n 1 Cell volume: 1591.84 Cell parameters: 7.8958; 8.0536; 25.2735; 90; 97.909; 90; |
COD ID: 1542488 | |
CIF file | Formula: - C6 H16 Cl2 N2 O2 S2 Zn - Comments: Kuwamura, Naoto; Laskar, Payel; Konno, Takumi (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II) IUCrData 1(1) (2016) x160105 Space group: P -1 Cell volume: 673.9 Cell parameters: 6.907; 10.32; 10.707; 68.331; 81.936; 71.917; |
COD ID: 1542489 | |
CIF file | Formula: - C14 H13 N O2 S2 - Comments: El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen (<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one IUCrData 1(1) (2016) x160052 Space group: P -1 Cell volume: 701.2 Cell parameters: 6.9841; 8.3241; 13.116; 89.276; 75.614; 72.095; |
COD ID: 1542490 | |
CIF file | Formula: - C24 H24 Cl N O4 - Comments: Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData 1(1) (2016) x160155 Space group: P -1 Cell volume: 1073.2 Cell parameters: 7.621; 10.753; 13.138; 92.102; 93.806; 91.275; |
COD ID: 1542491 | |
CIF file | Formula: - C12 H11 Cl Fe O - Comments: McAdam, C. John; Simpson, Jim 2-Chloro-1-ferrocenylethanone IUCrData 1(1) (2016) x152177 Space group: P 1 21 1 Cell volume: 530.14 Cell parameters: 7.4235; 9.6339; 7.5209; 90; 99.728; 90; |
COD ID: 1542492 | |
CIF file | Formula: - C25 H20 O12 - Comments: Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji 3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one IUCrData 1(1) (2016) x160028 Space group: P b c a Cell volume: 4743 Cell parameters: 20.944; 9.316; 24.309; 90; 90; 90; |
COD ID: 1542493 | |
CIF file | Formula: - C50 H68 N2 O4 S4 - Comments: Omran, Omran A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Mohamed, Alaa F. <i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt IUCrData 1(1) (2016) x160115 Space group: P 1 21/c 1 Cell volume: 5186.1 Cell parameters: 20.7072; 20.4462; 12.8292; 90; 107.294; 90; |
COD ID: 1542494 | |
CIF file | Formula: - C27 H44 N4 P2 Ru - Comments: Ren, Lili; Zheng, Wenjun (η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium IUCrData 1(1) (2016) x160110 Space group: P -1 Cell volume: 1515.1 Cell parameters: 10.922; 11.661; 13.641; 86.619; 79.75; 62.441; |
COD ID: 1542495 | |
CIF file | Formula: - C8 H5 Br N O2.5 - Comments: Turbitt, John R.; Golen, James A.; Manke, David R. 6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate IUCrData 1(1) (2016) x152434 Space group: C 1 2/c 1 Cell volume: 1565.5 Cell parameters: 7.4556; 12.9055; 16.334; 90; 95.063; 90; |
COD ID: 1542496 | |
CIF file | Formula: - C12 H16 N2 O2 S - Comments: Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T. 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea IUCrData 1(1) (2016) x152457 Space group: P 21 21 21 Cell volume: 1228.7 Cell parameters: 7.351; 12.452; 13.423; 90; 90; 90; |
COD ID: 1542497 | |
CIF file | Formula: - C20 H24 O4 S2 - Comments: Moriguchi, Tetsuji; Miyamoto, Daisuke; Jalli, Ventakaprasad; Yoza, Kenji; Tsuge, Akihiko <i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate IUCrData 1(1) (2016) x160082 Space group: P 1 21/n 1 Cell volume: 1932 Cell parameters: 12.1691; 13.1263; 12.275; 90; 99.818; 90; |
COD ID: 1542502 | |
CIF file | Formula: - C11 H10 O3 - Comments: Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha 2-(5-Methyl-1-benzofuran-3-yl)acetic acid IUCrData 1(2) (2016) x160170 Space group: P 1 21/c 1 Cell volume: 1839.5 Cell parameters: 12.209; 20.3796; 7.4335; 90; 95.98; 90; |
COD ID: 1542503 | |
CIF file | Formula: - C18 H20 N2 O5 - Comments: Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko 2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUCrData 1(2) (2016) x160167 Space group: P 1 21/c 1 Cell volume: 1613 Cell parameters: 22.135; 8.468; 8.6198; 90; 93.287; 90; |
COD ID: 1542504 | |
CIF file | Formula: - C11 H10 N2 O3 - Comments: Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner 1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one IUCrData 1(2) (2016) x160125 Space group: P 21 21 21 Cell volume: 972.9 Cell parameters: 5.1565; 12.4881; 15.1083; 90; 90; 90; |
COD ID: 1542505 | |
CIF file | Formula: - C26 H30 O8 - Comments: Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon) IUCrData 1(2) (2016) x160172 Space group: P 21 21 21 Cell volume: 2289.7 Cell parameters: 8.877; 14.533; 17.748; 90; 90; 90; |
COD ID: 1542506 | |
CIF file | Formula: - C18 H21 N O2 S2 - Comments: Ravi, A. J.; Kumar, K. Mahesh; Devarajegowda, H. C. (7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate IUCrData 1(2) (2016) x160171 Space group: P 1 21/c 1 Cell volume: 1706.23 Cell parameters: 11.6767; 16.2058; 9.1417; 90; 99.486; 90; |
COD ID: 1542507 | |
CIF file | Formula: - C11 H12 Br N3 O - Comments: Jiang, Xian-Wu; Zhang, Heng-Qiang; Sun, Zhuo-Dong; Shan, Yong-Kui 6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate IUCrData 1(2) (2016) x160180 Space group: P 1 21/c 1 Cell volume: 1162.38 Cell parameters: 5.4965; 11.9528; 17.7702; 90; 95.354; 90; |
COD ID: 1542508 | |
CIF file | Formula: - C13 H19 Cl3 N2 - Comments: Bhat, Muzzaffar Ahmad; Srivastava, Sanjay K.; Sharma, Pooja; Chopra, Ambika; Butcher, Ray J. 4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride redetermined at 100K IUCrData 1(2) (2016) x160168 Space group: P 1 21/c 1 Cell volume: 1457.1 Cell parameters: 10.9608; 9.5199; 14.0262; 90; 95.398; 90; |
COD ID: 1542509 | |
CIF file | Formula: - C17 H19 N O3 S2 - Comments: Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C. (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate IUCrData 1(2) (2016) x160169 Space group: P -1 Cell volume: 813.22 Cell parameters: 6.9573; 7.9838; 15.6037; 75.485; 87.122; 75.763; |
COD ID: 1542510 | |
CIF file | Formula: - C62 H74 B2 N4 O - Comments: Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate IUCrData 1(2) (2016) x160231 Space group: P -1 Cell volume: 5226.6 Cell parameters: 14.1885; 17.5801; 22.2543; 72.911; 86.243; 80.123; |
COD ID: 1542511 | |
CIF file | Formula: - C19 H19 Fe N O - Comments: Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide IUCrData 1(2) (2016) x160203 Space group: P -1 Cell volume: 1606.1 Cell parameters: 7.344; 14.831; 15.267; 79.094; 79.627; 87.508; |
COD ID: 1542512 | |
CIF file | Formula: - C8 H4 I N O2 - Comments: Golen, James A.; Manke, David R. 4-Iodo-1<i>H</i>-indole-2,3-dione IUCrData 1(2) (2016) x160215 Space group: P 1 21/c 1 Cell volume: 785.25 Cell parameters: 7.6138; 13.9658; 7.3866; 90; 91.249; 90; |
COD ID: 1542513 | |
CIF file | Formula: - C12 H14 Ag N3 O3 S - Comments: Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig <i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^] IUCrData 1(2) (2016) x160245 Space group: P 1 21/n 1 Cell volume: 1312.09 Cell parameters: 11.1568; 9.7852; 12.5715; 90; 107.055; 90; |
COD ID: 1542514 | |
CIF file | Formula: - C23 H33 N O - Comments: Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng 2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol IUCrData 1(2) (2016) x160205 Space group: P 1 21 1 Cell volume: 2116.3 Cell parameters: 6.588; 16.582; 19.448; 90; 95.051; 90; |
COD ID: 1542515 | |
CIF file | Formula: - C38 H30 N4 O12 Pt S2 - Comments: Liu, Jing; Zhu, Long-Guan Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate IUCrData 1(2) (2016) x160211 Space group: P 1 21/n 1 Cell volume: 1752.5 Cell parameters: 6.9957; 12.0819; 20.904; 90; 97.296; 90; |
COD ID: 1542516 | |
CIF file | Formula: - C18 H20 N2 O3 S2 - Comments: Islam, M. A. A. A. A.; Sheikh, M. C.; Mahmud, A. A.; Miyatake, R.; Zangrando, E. Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate IUCrData 1(2) (2016) x160190 Space group: P 1 21/c 1 Cell volume: 1868.31 Cell parameters: 6.24258; 11.4063; 26.2386; 90; 90.1171; 90; |
COD ID: 1542517 | |
CIF file | Formula: - C8 H4 F N O2 - Comments: Golen, James A.; Manke, David R. 6-Fluoro-1<i>H</i>-indole-2,3-dione IUCrData 1(2) (2016) x160165 Space group: P 21 21 21 Cell volume: 671.8 Cell parameters: 4.988; 5.5522; 24.2578; 90; 90; 90; |
COD ID: 1542518 | |
CIF file | Formula: - C60 H64 B2 N4 - Comments: Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethyl(but-2-yne)bisamidinium bis(tetraphenylborate) IUCrData 1(2) (2016) x160166 Space group: P 1 21/n 1 Cell volume: 2370.6 Cell parameters: 13.8527; 10.4892; 16.7462; 90; 103.034; 90; |
COD ID: 1542519 | |
CIF file | Formula: - C8 H4 Br N O2 - Comments: Gurung, Sita; Golen, James A.; Manke, David R. 5-Bromo-1<i>H</i>-indole-2,3-dione IUCrData 1(2) (2016) x160177 Space group: P n a 21 Cell volume: 737.42 Cell parameters: 25.1411; 5.6851; 5.1593; 90; 90; 90; |
COD ID: 1542520 | |
CIF file | Formula: - C64 H78 B2 N4 O2 - Comments: Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate IUCrData 1(2) (2016) x160129 Space group: P -1 Cell volume: 2720.7 Cell parameters: 11.4419; 14.1461; 18.8503; 110.635; 101.824; 97.8879; |
COD ID: 1542528 | |
CIF file | Formula: - C14 H10 Cl N3 O - Comments: Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof (3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one IUCrData 1(2) (2016) x160258 Space group: P -1 Cell volume: 622.41 Cell parameters: 6.8759; 8.2563; 12.0403; 109.156; 103.979; 91.485; |
COD ID: 1542529 | |
CIF file | Formula: - C8 H4 Br N O2 - Comments: Golen, James A.; Manke, David R. 7-Bromo-1<i>H</i>-indole-2,3-dione IUCrData 1(2) (2016) x160268 Space group: P 1 21/c 1 Cell volume: 751.2 Cell parameters: 3.832; 13.072; 15.004; 90; 91.917; 90; |
COD ID: 1542530 | |
CIF file | Formula: - C15 H22 N4 O16 - Comments: Bengiat, Ravell; Klein, Asne; Gil, Maayan; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph 5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1<i>H</i>-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1<i>H</i>-pyrimidine-2,4,6-trione pentahydrate IUCrData 1(2) (2016) x160261 Space group: P -1 Cell volume: 1054.79 Cell parameters: 9.4495; 10.0608; 12.3484; 109.133; 91.964; 106.201; |
COD ID: 1542531 | |
CIF file | Formula: - C26 H30 Cl4 N6 Ni2 O2 - Comments: Glazier, Brian M.; Golen, James A.; Manke, David R. Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)] IUCrData 1(2) (2016) x160259 Space group: P b c a Cell volume: 2828.6 Cell parameters: 11.913; 11.445; 20.7458; 90; 90; 90; |
COD ID: 1542532 | |
CIF file | Formula: - C8 H4 Br N O2 - Comments: Huang, Haobo; Golen, James A.; Manke, David R. 4-Bromo-1<i>H</i>-indole-2,3-dione IUCrData 1(2) (2016) x160007 Space group: P 1 21/c 1 Cell volume: 733.4 Cell parameters: 7.3655; 13.689; 7.2866; 90; 93.378; 90; |
COD ID: 1542540 | |
CIF file | Formula: - C4 H26 B12 Cs N O - Comments: Tiritiris, Ioannis; Schleid, Thomas Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate IUCrData 1(2) (2016) x160291 Space group: P 21 21 21 Cell volume: 1680.19 Cell parameters: 8.9771; 12.868; 14.5449; 90; 90; 90; |
COD ID: 1542541 | |
CIF file | Formula: - C22 H22 N2 O4 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate IUCrData 1(2) (2016) x160270 Space group: P 1 21/n 1 Cell volume: 1985.66 Cell parameters: 5.6473; 26.7798; 13.3219; 90; 99.743; 90; |
COD ID: 1542542 | |
CIF file | Formula: - C16 H22 N2 O7 - Comments: Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro 4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate IUCrData 1(2) (2016) x160252 Space group: P 1 Cell volume: 413.7 Cell parameters: 6.778; 6.953; 9.458; 109.182; 93.369; 98.437; |
COD ID: 1542601 | |
CIF file | Formula: - C14 H8 Cl F3 N2 O - Comments: Maheswari, R.; Manjula, J.; Gunasekaran, B. (<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide IUCrData 1(3) (2016) x160304 Space group: P -1 Cell volume: 707.47 Cell parameters: 6.4998; 7.4286; 14.8289; 84.859; 86.707; 83.313; |
COD ID: 1542602 | |
CIF file | Formula: - C12 H11 F3 N2 O3 - Comments: Avezov, Kuvondik G.; Umarov, Bako B.; Talipov, Samat A.; Kunafiev, Rishad J.; Ibragimov, Bakhtiyar T. (5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone IUCrData 1(3) (2016) x160316 Space group: P 1 21/c 1 Cell volume: 1291.8 Cell parameters: 9.9339; 10.6614; 12.6802; 90; 105.863; 90; |
COD ID: 1542726 | |
CIF file | Formula: - C14 H16 O3 - Comments: Lough, Alan J.; Carlson, Emily; Tam, William (1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene IUCrData 1(3) (2016) x160341 Space group: C 1 2/c 1 Cell volume: 2333.8 Cell parameters: 16.401; 6.9386; 20.666; 90; 97.089; 90; |
COD ID: 1542727 | |
CIF file | Formula: - C76 H72 Ag2 Cl N O5 P4 S2 - Comments: Li, Yun-Hua; Shao, Yong-Liang μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate IUCrData 1(3) (2016) x160332 Space group: P -1 Cell volume: 1682.6 Cell parameters: 12.44; 13.07; 13.579; 93.489; 117.157; 115.354; |
COD ID: 1542728 | |
CIF file | Formula: - C13 H19 N O3 - Comments: Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko <i>N</i>-Hexyl-3,4-dihydroxybenzamide IUCrData 1(3) (2016) x160346 Space group: P -1 Cell volume: 582.8 Cell parameters: 5.2542; 10.374; 11.341; 94.937; 102.429; 102.811; |
COD ID: 1542729 | |
CIF file | Formula: - C32 H48 Cl4 Cu2 N6 O20 - Comments: Zhu, Xian-Hong; Li, Peng; Chen, Xiao-Wei; Ke, Wen-Shan; Chen, Fei; Zhang, Hua-Xin [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate) IUCrData 1(3) (2016) x160344 Space group: P 1 21/n 1 Cell volume: 2257.6 Cell parameters: 15.262; 9.355; 15.832; 90; 92.858; 90; |
COD ID: 1542754 | |
CIF file | Formula: - C14 H8 I N3 O2 - Comments: Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R. (<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide IUCrData 1(2) (2016) x160315 Space group: P 1 21/c 1 Cell volume: 1338.29 Cell parameters: 11.962; 9.0103; 13.2047; 90; 109.893; 90; |
COD ID: 1542755 | |
CIF file | Formula: - C12 H16 O3 - Comments: Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde IUCrData 1(2) (2016) x160307 Space group: P 1 21/c 1 Cell volume: 537.57 Cell parameters: 4.5856; 14.2281; 8.3312; 90; 98.515; 90; |
COD ID: 1542756 | |
CIF file | Formula: - C74 H91 Ge2 N5 S2 Si2 - Comments: Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun 1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate IUCrData 1(2) (2016) x160299 Space group: P -1 Cell volume: 1848.74 Cell parameters: 11.0447; 13.4587; 13.9291; 64.297; 82.371; 85.629; |
COD ID: 1542757 | |
CIF file | Formula: - C32 H78 Bi4 Cl16 N14 - Comments: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate IUCrData 1(2) (2016) x160317 Space group: P 1 21/c 1 Cell volume: 3325.8 Cell parameters: 12.6427; 18.8486; 15.1377; 90; 112.782; 90; |
COD ID: 1542876 | |
CIF file | Formula: - C11 H6 Cl N O2 - Comments: Bargavi, Srinivasan; Kandhasamy, Subramani; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan 5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione IUCrData 1(3) (2016) x160397 Space group: C 1 2/c 1 Cell volume: 1965 Cell parameters: 15.0004; 7.9035; 16.888; 90; 101.057; 90; |
COD ID: 1542877 | |
CIF file | Formula: - C5 H12 F3 N O3 S - Comments: Bourque, Jeremy L.; Baines, Kim M. Tetramethylammonium trifluoromethanesulfonate IUCrData 1(3) (2016) x160370 Space group: P 1 21/m 1 Cell volume: 973.6 Cell parameters: 10.216; 8.507; 11.445; 90; 101.807; 90; |
COD ID: 1542878 | |
CIF file | Formula: - C39 H90 Bi3 I12 N9 - Comments: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III) IUCrData 1(3) (2016) x160391 Space group: R -3 Cell volume: 11218.5 Cell parameters: 18.7962; 18.7962; 36.666; 90; 90; 120; |
COD ID: 1542879 | |
CIF file | Formula: - C16 H20 Br N O2 - Comments: Kharbach, Yassine; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen 5-Bromo-1-octylindoline-2,3-dione IUCrData 1(3) (2016) x160371 Space group: P -1 Cell volume: 1531.77 Cell parameters: 4.5284; 13.2044; 25.9133; 96.663; 90.728; 95.393; |
COD ID: 1542880 | |
CIF file | Formula: - C8 H4 I N O2 - Comments: Golen, James A.; Manke, David R. 7-Iodo-1<i>H</i>-indole-2,3-dione IUCrData 1(3) (2016) x160412 Space group: P 1 21/c 1 Cell volume: 820.43 Cell parameters: 4.0896; 13.2139; 15.1946; 90; 92.325; 90; |
COD ID: 1542881 | |
CIF file | Formula: - C7 H5 Br O3 - Comments: Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P. 4-Bromo-2-hydroxybenzoic acid IUCrData 1(3) (2016) x160325 Space group: P -1 Cell volume: 352.28 Cell parameters: 3.9283; 5.9578; 15.1246; 92.925; 90.62; 94.71; |
COD ID: 1542882 | |
CIF file | Formula: - C9 H14 N2 - Comments: Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali Diaminomesitylene IUCrData 1(3) (2016) x160351 Space group: P 1 21/c 1 Cell volume: 887.83 Cell parameters: 8.1735; 12.9313; 8.73; 90; 105.803; 90; |
COD ID: 1542883 | |
CIF file | Formula: - C33 H68 Li N9 Si6 - Comments: Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L. Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium IUCrData 1(3) (2016) x160338 Space group: P 1 21/c 1 Cell volume: 4789 Cell parameters: 23.077; 18.798; 11.169; 90; 98.744; 90; |
COD ID: 1542884 | |
CIF file | Formula: - C5 H9 Cl3 Ga N - Comments: Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M. (<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III) IUCrData 1(3) (2016) x160389 Space group: P 1 21/c 1 Cell volume: 1061.9 Cell parameters: 6.517; 19.393; 8.5991; 90; 102.287; 90; |
COD ID: 1542885 | |
CIF file | Formula: - C19 H16 O - Comments: Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata 4-Benzyloxy-1,1'-biphenyl IUCrData 1(3) (2016) x160398 Space group: C 1 c 1 Cell volume: 1379.58 Cell parameters: 31.27; 5.672; 7.8812; 90; 99.271; 90; |
COD ID: 1542886 | |
CIF file | Formula: - C14 H20 O3 S - Comments: Paquin, Cyrenus T.; Boerth, Donald W.; Golen, James A.; Manke, David R. 4-Methylcyclohexyl <i>p</i>-toluenesulfonate IUCrData 1(3) (2016) x160390 Space group: P 1 21/c 1 Cell volume: 1439.2 Cell parameters: 11.39; 10.9935; 12.5613; 90; 113.79; 90; |
COD ID: 1542887 | |
CIF file | Formula: - C16 H13 N O2 - Comments: Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P. 1-Benzyl-5-methylindoline-2,3-dione IUCrData 1(3) (2016) x160381 Space group: P b c a Cell volume: 2563.1 Cell parameters: 14.6122; 8.3882; 20.911; 90; 90; 90; |
COD ID: 1542899 | |
CIF file | Formula: - C23 H18 Cl N5 O4 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Bakhite, Etify A.; Albayati, Mustafa R. 2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide IUCrData 1(3) (2016) x160452 Space group: P -1 Cell volume: 1102.14 Cell parameters: 8.1828; 12.1541; 12.3654; 114.474; 93.681; 96.949; |
COD ID: 1542900 | |
CIF file | Formula: - C12 H12 O - Comments: Garozzo, Lee Ann; Nazarenko, Alexander Y. 2-(Naphthalen-1-yl)ethanol IUCrData 1(3) (2016) x160423 Space group: P c a 21 Cell volume: 1847.13 Cell parameters: 9.8022; 14.9047; 12.643; 90; 90; 90; |
COD ID: 1542901 | |
CIF file | Formula: - C16 H16 N2 O2 - Comments: Maheswari, R.; Manjula, J.; Gunasekaran, B. (<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide IUCrData 1(3) (2016) x160431 Space group: P 1 21/c 1 Cell volume: 1401.66 Cell parameters: 11.7678; 13.0072; 9.9025; 90; 112.371; 90; |
COD ID: 1542902 | |
CIF file | Formula: - C18 H18 O3 - Comments: Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B. 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one IUCrData 1(3) (2016) x160430 Space group: P b c a Cell volume: 2963.2 Cell parameters: 16.1115; 7.704; 23.873; 90; 90; 90; |
COD ID: 1542903 | |
CIF file | Formula: - C38 H119 O83.5 P2 S17 W18 Zn3 - Comments: Hammami, Imen; Ghandour, Yassine; Belkhiria, Mohamed Salah Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3) IUCrData 1(3) (2016) x160406 Space group: P -1 Cell volume: 6233 Cell parameters: 17.377; 18.889; 19.705; 94.766; 90.035; 104.681; |
COD ID: 1542931 | |
CIF file | Formula: - C16 H15 N3 O4 - Comments: Inturi, Bharathkumar; Roopashree, K. R.; Pujar, Gurubasavaraj V.; Mohammed, Irfan Ali; Devarajegowda, H. C. 2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol IUCrData 1(3) (2016) x160466 Space group: P 1 21/c 1 Cell volume: 1475.5 Cell parameters: 13.1432; 13.613; 8.3381; 90; 98.495; 90; |
COD ID: 1542932 | |
CIF file | Formula: - C28 H43 N - Comments: Wang, Limin; Wang, Shengpei; Liu, Shenggao Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine IUCrData 1(3) (2016) x160424 Space group: P 1 21/c 1 Cell volume: 2546 Cell parameters: 17.7676; 13.138; 11.4852; 90; 108.261; 90; |
COD ID: 1542933 | |
CIF file | Formula: - C39 H72 Bi2 I9 N9 - Comments: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)] IUCrData 1(3) (2016) x160427 Space group: C 1 2/c 1 Cell volume: 5901.2 Cell parameters: 14.1643; 16.7047; 24.9505; 90; 91.601; 90; |
COD ID: 1542934 | |
CIF file | Formula: - C4 H6 N2 S2 - Comments: Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G. Dimethyl <i>N</i>-cyanodithioiminocarbonate IUCrData 1(3) (2016) x160454 Space group: P 1 21/c 1 Cell volume: 2656.6 Cell parameters: 15.2211; 12.2037; 14.4716; 90; 98.788; 90; |
COD ID: 1542935 | |
CIF file | Formula: - C22 H20 Cl2 N2 O - Comments: Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri 1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone IUCrData 1(3) (2016) x160474 Space group: P c a 21 Cell volume: 1932.4 Cell parameters: 20.9334; 10.2009; 9.0493; 90; 90; 90; |
COD ID: 1542936 | |
CIF file | Formula: - C10 H7 N3 O2 - Comments: Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole IUCrData 1(3) (2016) x160480 Space group: P 1 21/n 1 Cell volume: 902.47 Cell parameters: 4.0105; 21.0705; 10.7451; 90; 96.323; 90; |
COD ID: 1542937 | |
CIF file | Formula: - C14 H19 N7 - Comments: Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide IUCrData 1(3) (2016) x160478 Space group: P 21 21 21 Cell volume: 1644.05 Cell parameters: 7.7705; 9.8189; 21.5478; 90; 90; 90; |
COD ID: 1542975 | |
CIF file | Formula: - C26 H22 N8 O4 S3 - Comments: Bharti, Akhilesh; Nath, Paras; Bharati, Pooja; Gupta, Sushil K.; Bharty, Manoj K. Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate IUCrData 1(3) (2016) x160446 Space group: P -1 Cell volume: 1282.8 Cell parameters: 7.4551; 11.9212; 15.1931; 90.605; 99.245; 105.408; |
COD ID: 1542976 | |
CIF file | Formula: - C14 H11 N3 O2 - Comments: Boulhaoua, Mohammed; Abdelahi, Mohammed Mokhtar; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Benzyl-5-nitro-1<i>H</i>-indazole IUCrData 1(3) (2016) x160485 Space group: P 1 21/n 1 Cell volume: 2400.58 Cell parameters: 14.0236; 6.9976; 25.3551; 90; 105.245; 90; |
COD ID: 1542977 | |
CIF file | Formula: - C34 H28 F6 Ir N4 O2 P - Comments: Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa (4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate IUCrData 1(3) (2016) x160487 Space group: P 1 21/c 1 Cell volume: 3397.9 Cell parameters: 9.4106; 14.936; 24.175; 90; 90.29; 90; |
COD ID: 1542978 | |
CIF file | Formula: - C18 H21 N3 O2 - Comments: Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide IUCrData 1(3) (2016) x160464 Space group: P 1 21/c 1 Cell volume: 1688.56 Cell parameters: 5.8594; 18.8756; 16.0649; 90; 108.13; 90; |
COD ID: 1542979 | |
CIF file | Formula: - C12 H23 N3 S - Comments: de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira 2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide IUCrData 1(3) (2016) x160459 Space group: P 1 21 1 Cell volume: 1431.89 Cell parameters: 11.5579; 9.9279; 12.5271; 90; 95.03; 90; |
COD ID: 1542980 | |
CIF file | Formula: - C28 H44 N4 O6 Rb - Comments: Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F. (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl IUCrData 1(3) (2016) x160505 Space group: P 1 2/n 1 Cell volume: 1474.34 Cell parameters: 11.2326; 8.025; 16.3653; 90; 91.95; 90; |
COD ID: 1542981 | |
CIF file | Formula: - C50 H49 N O2 - Comments: Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi 2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide IUCrData 1(3) (2016) x160473 Space group: P 1 21/c 1 Cell volume: 3946 Cell parameters: 19.155; 10.5762; 19.495; 90; 92.382; 90; |
COD ID: 1542982 | |
CIF file | Formula: - C19 H14 N2 O S - Comments: Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz <i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide IUCrData 1(3) (2016) x160471 Space group: P -1 Cell volume: 1587.5 Cell parameters: 9.7001; 12.1805; 13.866; 75.99; 89.069; 87.074; |
COD ID: 1542983 | |
CIF file | Formula: - C23 H19 Cl N4 O2 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. 2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide IUCrData 1(3) (2016) x160453 Space group: C 1 2/c 1 Cell volume: 4367.8 Cell parameters: 15.794; 11.1864; 24.8212; 90; 95.128; 90; |
COD ID: 1542984 | |
CIF file | Formula: - C28 H25 N3 O3 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate IUCrData 1(3) (2016) x160479 Space group: C 1 c 1 Cell volume: 2530.56 Cell parameters: 10.2254; 26.6695; 9.921; 90; 110.718; 90; |
COD ID: 1543037 | |
CIF file | Formula: - C17 H24 Cl N7 O7 Pt - Comments: Cheun, Young; Lee, Seongmin <i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate IUCrData 1(4) (2016) x160481 Space group: P 1 21/c 1 Cell volume: 2149.1 Cell parameters: 7.6398; 10.8372; 25.982; 90; 92.478; 90; |
COD ID: 1543038 | |
CIF file | Formula: - C27 H19 Cl N2 O - Comments: Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu 1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one IUCrData 1(4) (2016) x160529 Space group: P n a 21 Cell volume: 2081 Cell parameters: 14.824; 8.2946; 16.924; 90; 90; 90; |
COD ID: 1543039 | |
CIF file | Formula: - C22 H20 N2 O4 - Comments: Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) IUCrData 1(4) (2016) x160542 Space group: P b c a Cell volume: 1871.19 Cell parameters: 15.1498; 7.4949; 16.4795; 90; 90; 90; |
COD ID: 1543040 | |
CIF file | Formula: - C24 H20 N4 O2 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R. 5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile IUCrData 1(4) (2016) x160492 Space group: P b c a Cell volume: 4292.76 Cell parameters: 9.8513; 15.0619; 28.931; 90; 90; 90; |
COD ID: 1543041 | |
CIF file | Formula: - C16 H13 Cl N2 O2 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate IUCrData 1(4) (2016) x160531 Space group: P -1 Cell volume: 773.05 Cell parameters: 5.9498; 8.0999; 16.3919; 85.99; 81.41; 82.294; |
COD ID: 1543042 | |
CIF file | Formula: - C30 H42 N4 O2 Pd S4 - Comments: Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R. Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II) IUCrData 1(4) (2016) x160521 Space group: P -1 Cell volume: 803.11 Cell parameters: 4.54371; 11.6697; 15.5677; 90.8429; 98.1733; 100.344; |
COD ID: 1543043 | |
CIF file | Formula: - C23 H32 Cl2 O3 S - Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate IUCrData 1(4) (2016) x160422 Space group: P 21 21 21 Cell volume: 2300.1 Cell parameters: 9.41; 9.667; 25.285; 90; 90; 90; |
COD ID: 1543062 | |
CIF file | Formula: - C64 H74 N4 - Comments: Williams, Owen M.; Cowley, Alan H. (4<i>Z</i>,5<i>E</i>,9<i>E</i>,10<i>Z</i>)-<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine IUCrData 1(4) (2016) x160484 Space group: P 1 21/n 1 Cell volume: 5560 Cell parameters: 14.527; 10.721; 36.004; 90; 97.459; 90; |
COD ID: 1543063 | |
CIF file | Formula: - C15 H10 Br N O2 - Comments: Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen 1-Benzyl-5-bromoindoline-2,3-dione IUCrData 1(4) (2016) x160559 Space group: P 21 21 21 Cell volume: 1279.83 Cell parameters: 4.5205; 13.4538; 21.0436; 90; 90; 90; |
COD ID: 1543064 | |
CIF file | Formula: - C26 H16 N2 O - Comments: Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen (<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol IUCrData 1(4) (2016) x160543 Space group: P 1 21/c 1 Cell volume: 1782.8 Cell parameters: 15.984; 4.8453; 23.071; 90; 93.835; 90; |
COD ID: 1543065 | |
CIF file | Formula: - C20 H13 Br2 N O3 - Comments: Fang, Xiaoqin; Wang, Yifeng (1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan IUCrData 1(4) (2016) x160515 Space group: P 1 21 1 Cell volume: 925.8 Cell parameters: 9.4796; 7.155; 13.651; 90; 90.968; 90; |
COD ID: 1543066 | |
CIF file | Formula: - C18 H26 Cl2 N2 O - Comments: Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha <i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide IUCrData 1(4) (2016) x160554 Space group: P 1 Cell volume: 938.73 Cell parameters: 9.9172; 10.001; 10.4124; 86.863; 84.173; 66.037; |
COD ID: 1543082 | |
CIF file | Formula: - C10 H26 N4 O12 Pb - Comments: Bernès, Sylvain; Gasque, Laura Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K IUCrData 1(4) (2016) x160539 Space group: P 21 21 21 Cell volume: 2032.2 Cell parameters: 5.4311; 13.6861; 27.34; 90; 90; 90; |
COD ID: 1543083 | |
CIF file | Formula: - C24 H21 N3 O S - Comments: Kamni; Singh, Vikram D.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni (4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one IUCrData 1(4) (2016) x160587 Space group: P 1 21/c 1 Cell volume: 2068.7 Cell parameters: 15.8392; 12.9075; 10.3997; 90; 103.354; 90; |
COD ID: 1543084 | |
CIF file | Formula: - C20 H20 Fe O4 - Comments: Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig 5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione IUCrData 1(4) (2016) x160569 Space group: P 1 21 1 Cell volume: 878.52 Cell parameters: 9.8263; 7.4617; 11.9888; 90; 91.956; 90; |
COD ID: 1543085 | |
CIF file | Formula: - C11 H19 N3 S - Comments: N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha (3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide IUCrData 1(4) (2016) x160573 Space group: P 21 21 21 Cell volume: 1174.6 Cell parameters: 7.957; 10.796; 13.673; 90; 90; 90; |
COD ID: 1543086 | |
CIF file | Formula: - C22 H17 N3 O2 S - Comments: Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni (4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one IUCrData 1(4) (2016) x160566 Space group: P 1 21/c 1 Cell volume: 1867.2 Cell parameters: 20.6796; 5.4004; 17.2537; 90; 104.299; 90; |
COD ID: 1543087 | |
CIF file | Formula: - C9 H9 N3 O2 - Comments: Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Ethyl-5-nitro-1<i>H</i>-indazole IUCrData 1(4) (2016) x160567 Space group: P 21 21 21 Cell volume: 890.22 Cell parameters: 6.7563; 11.2307; 11.7323; 90; 90; 90; |
COD ID: 1543088 | |
CIF file | Formula: - C20 H32 O3 - Comments: Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen 1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i> IUCrData 1(4) (2016) x160577 Space group: P 1 21/c 1 Cell volume: 1899.1 Cell parameters: 4.2047; 34.146; 13.347; 90; 97.67; 90; |
COD ID: 1543089 | |
CIF file | Formula: - C21 H13 N3 O2 - Comments: Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G. 5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile IUCrData 1(4) (2016) x160586 Space group: P 1 21/c 1 Cell volume: 1637.53 Cell parameters: 12.4764; 7.8471; 16.7265; 90; 90.478; 90; |
COD ID: 1543090 | |
CIF file | Formula: - C13 H10 N2 O5 - Comments: Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A. 5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one IUCrData 1(4) (2016) x160527 Space group: P 1 21/n 1 Cell volume: 1210.7 Cell parameters: 7.4998; 13.835; 12.2324; 90; 107.474; 90; |
COD ID: 1543091 | |
CIF file | Formula: - C30 H19 N3 O - Comments: Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A. 5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile IUCrData 1(4) (2016) x160526 Space group: P -1 Cell volume: 1130.18 Cell parameters: 10.2688; 10.5322; 11.2934; 111.72; 93.883; 91.653; |
COD ID: 1543125 | |
CIF file | Formula: - C10 H8 O4 - Comments: Bai, Jun-Hua; Dong, Jin-Long 7-Hydroxy-4-(hydroxymethyl)coumarin IUCrData 1(4) (2016) x160598 Space group: P b c a Cell volume: 1771 Cell parameters: 13.217; 9.831; 13.627; 90; 90; 90; |
COD ID: 1543126 | |
CIF file | Formula: - C7 H5 Br2 N O2 - Comments: Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean Dibromonitrotoluene IUCrData 1(4) (2016) x160621 Space group: P -1 Cell volume: 885.1 Cell parameters: 8.755; 9.533; 10.897; 91.324; 90.517; 103.216; |
COD ID: 1543127 | |
CIF file | Formula: - C15 H20 N4 O3 S - Comments: Hossain, G. M. Golzar Sulfamerazine tetrahydrofuran monosolvate IUCrData 1(4) (2016) x160596 Space group: P 1 21/c 1 Cell volume: 4884.72 Cell parameters: 10.5765; 11.8088; 39.1512; 90; 92.618; 90; |
COD ID: 1543128 | |
CIF file | Formula: - C8 H11 N3 O4 - Comments: Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate IUCrData 1(4) (2016) x160588 Space group: P 21 21 21 Cell volume: 1001.04 Cell parameters: 4.4793; 10.3596; 21.5724; 90; 90; 90; |
COD ID: 1543129 | |
CIF file | Formula: - C16 H14 N2 O2 - Comments: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 4-Aminobenzoic acid‒quinoline (1/1) IUCrData 1(4) (2016) x160604 Space group: P 1 21/c 1 Cell volume: 1373.54 Cell parameters: 7.6842; 8.1013; 22.0669; 90; 90.893; 90; |
COD ID: 1543130 | |
CIF file | Formula: - C11 H11 N O2 - Comments: Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-Propyl-1<i>H</i>-indole-2,3-dione IUCrData 1(4) (2016) x160609 Space group: P 21 21 21 Cell volume: 945.37 Cell parameters: 4.4666; 12.9169; 16.3857; 90; 90; 90; |
COD ID: 1543131 | |
CIF file | Formula: - C28 H21 Br N4 O4 S - Comments: AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A. 5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate IUCrData 1(4) (2016) x160597 Space group: P -1 Cell volume: 1332.14 Cell parameters: 10.1721; 11.2475; 12.0154; 79.638; 82.454; 82.371; |
COD ID: 1543132 | |
CIF file | Formula: - C11 H10 Br N O2 - Comments: Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-(3-Bromopropyl)indoline-2,3-dione IUCrData 1(4) (2016) x160593 Space group: P 1 21/c 1 Cell volume: 1115.03 Cell parameters: 7.7113; 8.1375; 17.8089; 90; 93.83; 90; |
COD ID: 1543133 | |
CIF file | Formula: - C50 H36 N2 - Comments: Zhu, Liqiong; Zhao, Yan (1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent IUCrData 1(4) (2016) x160594 Space group: P -1 Cell volume: 4142 Cell parameters: 15.579; 16.799; 17.332; 72.622; 73.116; 84.324; |
COD ID: 1543143 | |
CIF file | Formula: - C19 H29 B O3 - Comments: Li, Kai-Xiao; Wang, Xiao-Juan 4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane IUCrData 1(4) (2016) x160611 Space group: P 1 21/c 1 Cell volume: 1945.8 Cell parameters: 10.0293; 18.123; 10.7973; 90; 97.475; 90; |
COD ID: 1543144 | |
CIF file | Formula: - C12 H9 Br2 N O2 S - Comments: Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A. 4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide IUCrData 1(4) (2016) x160631 Space group: P 1 21/n 1 Cell volume: 1332.2 Cell parameters: 5.0643; 12.8006; 20.554; 90; 91.076; 90; |
COD ID: 1543145 | |
CIF file | Formula: - C13 H17 B F4 N2 O2 - Comments: Bouzid, Mouna; Hrizi, Chakib; Kammoun, Majed 1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate IUCrData 1(4) (2016) x160619 Space group: P 1 21/c 1 Cell volume: 1510.22 Cell parameters: 7.7265; 13.4792; 14.5827; 90; 96.073; 90; |
COD ID: 1543146 | |
CIF file | Formula: - C37.8 H59.2 O6 - Comments: Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo (25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate IUCrData 1(4) (2016) x160622 Space group: P 21 21 21 Cell volume: 3658.6 Cell parameters: 11.64797; 12.20869; 25.7274; 90; 90; 90; |
COD ID: 1543165 | |
CIF file | Formula: - C17 H13 N O2 - Comments: Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione IUCrData 1(4) (2016) x160633 Space group: P b c a Cell volume: 2668.9 Cell parameters: 8.2585; 7.2677; 44.4667; 90; 90; 90; |
COD ID: 1543166 | |
CIF file | Formula: - C22 H22 Cl N3 O S - Comments: Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Tenorio, Juan C.; Ellena, Javier 3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one IUCrData 1(4) (2016) x160608 Space group: P 1 21/c 1 Cell volume: 2078.8 Cell parameters: 9.7478; 25.2229; 8.6354; 90; 101.733; 90; |
COD ID: 1543167 | |
CIF file | Formula: - C21 H20 N2 O3 - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R. <i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination IUCrData 1(4) (2016) x160662 Space group: P 1 21 1 Cell volume: 1812.93 Cell parameters: 9.5461; 11.8724; 15.9962; 90; 90.104; 90; |
COD ID: 1543168 | |
CIF file | Formula: - C18 H12 O6 - Comments: Katzsch, Felix; Gruber, Tobias; Weber, Edwin Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate IUCrData 1(4) (2016) x160629 Space group: P -1 Cell volume: 786.65 Cell parameters: 8.5765; 9.8469; 10.2677; 78.903; 79.552; 68.655; |
COD ID: 1543169 | |
CIF file | Formula: - C12 H19 N3 - Comments: Zhao, Ningfeng; Akwataghibe, Kelechi; Pompilius, Arielle; Shelly, Everett 3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile IUCrData 1(4) (2016) x160673 Space group: P 1 21/c 1 Cell volume: 1217.17 Cell parameters: 10.5993; 9.7641; 12.4435; 90; 109.065; 90; |
COD ID: 1543170 | |
CIF file | Formula: - C50 H62 Cl8 Fe2 N2 Na2 O7 S8 - Comments: Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] IUCrData 1(4) (2016) x160643 Space group: C 1 2/c 1 Cell volume: 6309 Cell parameters: 29.063; 9.9393; 25.645; 90; 121.609; 90; |
COD ID: 1543171 | |
CIF file | Formula: - C12 H14 O2 - Comments: Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G. (<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one IUCrData 1(4) (2016) x160610 Space group: P -1 Cell volume: 528.03 Cell parameters: 5.7634; 8.2218; 12.0915; 105.541; 102.539; 97.4291; |
COD ID: 1543172 | |
CIF file | Formula: - C30 H24 Cl N3 O4 S - Comments: Bakhite, Etify A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Al-Taifi, Elham A. Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate IUCrData 1(4) (2016) x160657 Space group: P 1 21/c 1 Cell volume: 2654.84 Cell parameters: 8.8388; 17.7686; 16.9487; 90; 94.159; 90; |
COD ID: 1543173 | |
CIF file | Formula: - C16 H15 N3 O5 Zn - Comments: Lee, Do Nam; Kim, Youngmee <i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate] IUCrData 1(4) (2016) x160636 Space group: P 1 21/n 1 Cell volume: 1582.8 Cell parameters: 8.9885; 15.43; 11.4182; 90; 91.806; 90; |
COD ID: 1543174 | |
CIF file | Formula: - C48 H42 Cl2 N10 O5 S2 - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. <i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate IUCrData 1(4) (2016) x160627 Space group: P -1 Cell volume: 3454.5 Cell parameters: 10.733; 16.0616; 20.9885; 96.662; 102.673; 98.067; |
COD ID: 1543175 | |
CIF file | Formula: - C16 H12 N4 O S - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole IUCrData 1(4) (2016) x160626 Space group: P 1 21/c 1 Cell volume: 1433.98 Cell parameters: 5.985; 21.0709; 11.5617; 90; 100.423; 90; |
COD ID: 1543176 | |
CIF file | Formula: - C17 H16 N2 O - Comments: Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one IUCrData 1(4) (2016) x160661 Space group: P b c a Cell volume: 2898.07 Cell parameters: 16.5042; 9.6896; 18.1221; 90; 90; 90; |
COD ID: 1543177 | |
CIF file | Formula: - C16 H15 N O - Comments: Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies <i>N</i>-Benzylcinnamamide IUCrData 1(4) (2016) x160647 Space group: P 1 21/c 1 Cell volume: 1313.75 Cell parameters: 12.4817; 12.3107; 8.5737; 90; 94.276; 90; |
COD ID: 1543178 | |
CIF file | Formula: - C27 H24 Cl N O - Comments: Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P. 2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one IUCrData 1(4) (2016) x160644 Space group: P 1 21/c 1 Cell volume: 2147.67 Cell parameters: 7.2562; 16.4818; 18.0306; 90; 95.149; 90; |
COD ID: 1543179 | |
CIF file | Formula: - C21 H24 Cl N3 O2 S - Comments: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R. Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate IUCrData 1(4) (2016) x160651 Space group: P 1 21/c 1 Cell volume: 2182 Cell parameters: 7.2363; 24.26; 12.9049; 90; 105.603; 90; |
COD ID: 1543180 | |
CIF file | Formula: - C16 H13 N3 O3 S - Comments: Benosmane, A.; Rouag, D. A.; Mili, A.; Merazig, H.; Benaouida, M. A. (4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium IUCrData 1(4) (2016) x160658 Space group: P 1 21/c 1 Cell volume: 2933 Cell parameters: 26.289; 15.132; 7.403; 90; 95.179; 90; |
COD ID: 1543224 | |
CIF file | Formula: - C8 H4 Cl N O2 - Comments: Juma, Rashid M.; Golen, James A.; Manke, David R. 4-Chloro-1<i>H</i>-indole-2,3-dione IUCrData 1(4) (2016) x160689 Space group: P 1 21 1 Cell volume: 717.86 Cell parameters: 8.2745; 6.0367; 14.8609; 90; 104.746; 90; |
COD ID: 1543225 | |
CIF file | Formula: - C11 H20 O3 - Comments: von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin (4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol IUCrData 1(4) (2016) x160697 Space group: P 21 21 21 Cell volume: 1155.8 Cell parameters: 5.8932; 7.1714; 27.347; 90; 90; 90; |
COD ID: 1543226 | |
CIF file | Formula: - C17 H13 Cl N2 O2 Pd - Comments: Mili, Assia; Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bailly, Corinne Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II) IUCrData 1(4) (2016) x160691 Space group: P 1 21/n 1 Cell volume: 1459.96 Cell parameters: 7.5429; 21.4003; 9.7773; 90; 112.325; 90; |
COD ID: 1543227 | |
CIF file | Formula: - C22 H22 N2 O2 - Comments: Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A. 5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione IUCrData 1(4) (2016) x160688 Space group: P 1 21/n 1 Cell volume: 1785.9 Cell parameters: 8.8711; 8.6175; 23.698; 90; 99.672; 90; |
COD ID: 1543228 | |
CIF file | Formula: - C14 H10 Br3 N - Comments: Bezuglyi, Mkola; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas 1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole IUCrData 1(4) (2016) x160708 Space group: P 1 21/c 1 Cell volume: 1405 Cell parameters: 17.17; 4.267; 20.22; 90; 108.45; 90; |
COD ID: 1543229 | |
CIF file | Formula: - C8 H4 I N O2 - Comments: Golen, James A.; Manke, David R. 6-Iodo-1<i>H</i>-indole-2,3-dione IUCrData 1(4) (2016) x160700 Space group: P -1 Cell volume: 401.43 Cell parameters: 6.4152; 7.5089; 8.9546; 110.162; 96.12; 91.997; |
COD ID: 1543230 | |
CIF file | Formula: - C10 H9 F N4 O S - Comments: Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan (<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide IUCrData 1(4) (2016) x160659 Space group: P 21 21 21 Cell volume: 1143.38 Cell parameters: 5.7058; 10.6201; 18.8688; 90; 90; 90; |
COD ID: 1543231 | |
CIF file | Formula: - C19 H22 O2 - Comments: Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha 1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene IUCrData 1(4) (2016) x160703 Space group: P 1 21/n 1 Cell volume: 1634.3 Cell parameters: 10.8316; 8.7542; 17.959; 90; 106.322; 90; |
COD ID: 1543232 | |
CIF file | Formula: - C34.5 H26.5 Cl N2 O2.5 - Comments: Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan 15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate IUCrData 1(4) (2016) x160637 Space group: P -1 Cell volume: 1352.92 Cell parameters: 10.3848; 10.4306; 14.4513; 69.394; 72.388; 70.871; |
COD ID: 1543233 | |
CIF file | Formula: - C8 H4 Cl N O2 - Comments: Golen, James A.; Manke, David R. 6-Chloro-1<i>H</i>-indole-2,3-dione IUCrData 1(4) (2016) x160690 Space group: P 1 21 1 Cell volume: 351.16 Cell parameters: 5.6231; 4.993; 12.5145; 90; 91.916; 90; |
COD ID: 1543234 | |
CIF file | Formula: - C16 H13 Cl N2 S - Comments: Suresh, Ganesan; Muniraj, Sarangapani 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole IUCrData 1(4) (2016) x160679 Space group: P 1 21/n 1 Cell volume: 1414.7 Cell parameters: 15.0422; 5.6323; 17.1019; 90; 102.48; 90; |
COD ID: 1543253 | |
CIF file | Formula: - C11 H13 N3 O4 - Comments: Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G. Benzimidazolium <small>L</small>-aspartate IUCrData 1(5) (2016) x160677 Space group: P 1 21 1 Cell volume: 558.02 Cell parameters: 8.9612; 5.0796; 12.5535; 90; 102.438; 90; |
COD ID: 1543254 | |
CIF file | Formula: - C8 H3 Cl2 N O2 - Comments: Mastrolia, Ronald J.; Golen, James A.; Manke, David R. 4,6-Dichloro-1<i>H</i>-indole-2,3-dione IUCrData 1(5) (2016) x160695 Space group: P b c a Cell volume: 1615.6 Cell parameters: 8.6253; 7.125; 26.289; 90; 90; 90; |
COD ID: 1543255 | |
CIF file | Formula: - C36.5 H6 Cl F24 P Pt S3 - Comments: Bernès, Sylvain; Torrens, Hugo Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate IUCrData 1(5) (2016) x160696 Space group: P -1 Cell volume: 2014.6 Cell parameters: 11.2908; 13.8516; 14.6956; 104.477; 96.359; 111.675; |
COD ID: 1543256 | |
CIF file | Formula: - C24 H17 Cl N4 O3 S - Comments: Al-Taifi, Elham A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A. Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate IUCrData 1(5) (2016) x160701 Space group: P 1 21/n 1 Cell volume: 2130.4 Cell parameters: 11.8562; 7.1984; 25.4331; 90; 101.045; 90; |
COD ID: 1543257 | |
CIF file | Formula: - C30 H64 Li2 N6 O2 Si4 - Comments: Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L. Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)] IUCrData 1(5) (2016) x160707 Space group: P -1 Cell volume: 1059.8 Cell parameters: 9.87; 10.624; 11.319; 74.34; 81.35; 68.246; |
COD ID: 1543274 | |
CIF file | Formula: - C17 H13 Br O4 - Comments: Ohira, Natsumi; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone IUCrData 1(5) (2016) x160753 Space group: C 1 2/c 1 Cell volume: 2813.7 Cell parameters: 29.889; 4.8479; 20.0427; 90; 104.337; 90; |
COD ID: 1543275 | |
CIF file | Formula: - C13 H14 N2 O3 - Comments: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 2-Amino-6-methylpyridinium 2-hydroxybenzoate IUCrData 1(5) (2016) x160747 Space group: I 41/a :2 Cell volume: 4908.1 Cell parameters: 14.1096; 14.1096; 24.6537; 90; 90; 90; |
COD ID: 1543276 | |
CIF file | Formula: - C14 H15 N3 O2 - Comments: Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah <i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate IUCrData 1(5) (2016) x160752 Space group: P 21 21 21 Cell volume: 1303.4 Cell parameters: 6.3268; 7.2868; 28.272; 90; 90; 90; |
COD ID: 1543277 | |
CIF file | Formula: - C27 H18 Br N3 O2 - Comments: Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A. 5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile IUCrData 1(5) (2016) x160724 Space group: P 1 21/n 1 Cell volume: 2169.33 Cell parameters: 14.6503; 9.6974; 15.2946; 90; 93.284; 90; |
COD ID: 1543278 | |
CIF file | Formula: - C14 H14 N2 O3 - Comments: Rahmouni, Samra; Djedouani, Amel; Touzani, Rachid; Fleutot, Solenne; Bendaas, Abderrahmen (<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one IUCrData 1(5) (2016) x160729 Space group: C 1 2/c 1 Cell volume: 7297.6 Cell parameters: 30.1064; 17.5911; 13.7937; 90; 92.613; 90; |
COD ID: 1543279 | |
CIF file | Formula: - C11 H13 Cl N2 O4 - Comments: Wang, Chang-Kai; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong <i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)oxalamide IUCrData 1(5) (2016) x160737 Space group: P 1 21/n 1 Cell volume: 1216 Cell parameters: 6.1422; 18.117; 11.061; 90; 98.896; 90; |
COD ID: 1543280 | |
CIF file | Formula: - C18 H13 N3 S - Comments: Elaatiaoui, Abdelmalik; Elkalai, Fouad; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen (<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine IUCrData 1(5) (2016) x160723 Space group: P -1 Cell volume: 1510.2 Cell parameters: 9.6524; 10.1168; 16.655; 101.299; 106.315; 95.628; |
COD ID: 1543318 | |
CIF file | Formula: - C22 H16 Cl N O S - Comments: Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Ouzidan, Younes; Mague, Joel T.; Zouihri, Hafid 4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one IUCrData 1(5) (2016) x160764 Space group: P 1 21/n 1 Cell volume: 1770.8 Cell parameters: 11.8931; 6.5358; 22.817; 90; 93.239; 90; |
COD ID: 1543319 | |
CIF file | Formula: - C16 H14 Br N3 O2 - Comments: Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate IUCrData 1(5) (2016) x160771 Space group: P 1 21/n 1 Cell volume: 1475.82 Cell parameters: 14.6923; 6.1988; 16.2254; 90; 92.911; 90; |
COD ID: 1543320 | |
CIF file | Formula: - C13 H9 Br Cl N3 - Comments: Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid 6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData 1(5) (2016) x160763 Space group: P b c a Cell volume: 2484.48 Cell parameters: 12.1163; 9.7911; 20.9428; 90; 90; 90; |
COD ID: 1543333 | |
CIF file | Formula: - C10 H6 N2 O S - Comments: Yallur, Basappa; Krishna, P. Murali; Hosamani, Amar A. Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde IUCrData 1(5) (2016) x160778 Space group: P 1 21/c 1 Cell volume: 879.5 Cell parameters: 5.6514; 21.22; 7.381; 90; 96.473; 90; |
COD ID: 1543342 | |
CIF file | Formula: - C7 H6 Br N3 - Comments: Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid 6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData 1(5) (2016) x160766 Space group: P 1 21/m 1 Cell volume: 786.52 Cell parameters: 11.0395; 6.4734; 11.1397; 90; 98.889; 90; |
COD ID: 1543343 | |
CIF file | Formula: - C13 H13 N O - Comments: Wang, Fengzhen; Peng, Songsong; Yue, Mingbo; Zhu, Ruitao (3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone IUCrData 1(5) (2016) x160785 Space group: C 1 2/c 1 Cell volume: 2196.6 Cell parameters: 25.755; 6.5962; 14.503; 90; 116.935; 90; |
COD ID: 1543344 | |
CIF file | Formula: - C9 H15 N O4 - Comments: Sudhahar, S.; Sankaranarayanan, K.; Ravi, G.; Kumar, R. Mohan; Chakkaravarthi, G. 3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate IUCrData 1(5) (2016) x160748 Space group: P 1 21/c 1 Cell volume: 993.4 Cell parameters: 9.8364; 5.9731; 17.0805; 90; 98.152; 90; |
COD ID: 1543345 | |
CIF file | Formula: - C13 H14 N4 O - Comments: Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T. 5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide IUCrData 1(5) (2016) x160793 Space group: P 1 21/c 1 Cell volume: 1209.92 Cell parameters: 6.3283; 19.6204; 10.1245; 90; 105.746; 90; |
COD ID: 1543346 | |
CIF file | Formula: - C17 H21 N3 O - Comments: El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre 4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine IUCrData 1(5) (2016) x160804 Space group: P 1 21/c 1 Cell volume: 1518.47 Cell parameters: 14.5487; 10.1675; 10.4269; 90; 100.104; 90; |
COD ID: 1543347 | |
CIF file | Formula: - C8 H9 N O3 - Comments: Zhang, Xiaohui; Yu, Yuzhen; Li, Zhanjun; Li, Wen <small>D</small>-({-})-2-Azaniumyl-2-(4-hydroxyphenyl)acetate: an orthorhombic polymorph IUCrData 1(5) (2016) x160768 Space group: P 21 21 21 Cell volume: 837.72 Cell parameters: 5.83624; 8.4245; 17.0381; 90; 90; 90; |
COD ID: 1543348 | |
CIF file | Formula: - C17 H11 F3 N2 O2 - Comments: Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen 2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one IUCrData 1(5) (2016) x160797 Space group: P -1 Cell volume: 751.23 Cell parameters: 7.1355; 7.4786; 14.8254; 99.626; 91.602; 105.02; |
COD ID: 1543349 | |
CIF file | Formula: - C17 H22 Br N O2 - Comments: Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen 5-Bromo-1-nonylindoline-2,3-dione IUCrData 1(5) (2016) x160791 Space group: P 1 21/c 1 Cell volume: 1614.81 Cell parameters: 4.8428; 31.7181; 10.7171; 90; 101.206; 90; |
COD ID: 1543350 | |
CIF file | Formula: - C31 H33 N3 O2 - Comments: Naaz, Y. Aamina; Savithri, Jothinathan Sathiya; Rajakumar, Perumal; SubbiahPandi, A. 3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one IUCrData 1(5) (2016) x160772 Space group: P 1 21/c 1 Cell volume: 2644.4 Cell parameters: 18.0701; 16.2611; 9.0801; 90; 97.645; 90; |
COD ID: 1543351 | |
CIF file | Formula: - C32 H36 Pt2 S2 - Comments: Rillema, D. Paul; Moore, Curtis; Jehan, Ali Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)] IUCrData 1(5) (2016) x160789 Space group: P 1 21/n 1 Cell volume: 2821.8 Cell parameters: 19.2938; 7.8839; 19.6969; 90; 109.639; 90; |
COD ID: 1543352 | |
CIF file | Formula: - C18 H13 F2 N O2 - Comments: Shashidhar Bharadwaj, S.; Kumara, Karthik; Poojary, Boja; Yathirajan, H. S.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S. Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate: a second triclinic polymorph IUCrData 1(5) (2016) x160739 Space group: P -1 Cell volume: 733.76 Cell parameters: 8.9998; 9.0314; 10.2747; 67.15; 72.45; 82.91; |
COD ID: 1543367 | |
CIF file | Formula: - Ca Cl2 H24 N8 - Comments: Kishida, Yoshihiro; Aoki, Masakazu Calcium octaammine dichloride IUCrData 1(5) (2016) x160835 Space group: P n m a Cell volume: 1346.94 Cell parameters: 12.0924; 7.3293; 15.1975; 90; 90; 90; |
COD ID: 1543368 | |
CIF file | Formula: - C38 H30 Br2 Mn N4 O7 - Comments: Hu, Ling-Xia; Zhang, Bi-Song Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate IUCrData 1(5) (2016) x160833 Space group: P 1 21/n 1 Cell volume: 3585 Cell parameters: 14.193; 11.912; 21.253; 90; 93.86; 90; |
COD ID: 1543369 | |
CIF file | Formula: - C15 H13 F3 N2 O3 - Comments: Maheswari, R.; Manjula, J.; Gunasekaran, B.; Bakiyaraj, G. (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate IUCrData 1(5) (2016) x160846 Space group: P -1 Cell volume: 731.35 Cell parameters: 6.6872; 7.9309; 13.9723; 82.348; 84.783; 88.71; |
COD ID: 1543370 | |
CIF file | Formula: - C34.5 H26 Cl N3 O4 - Comments: Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan 6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate IUCrData 1(5) (2016) x160828 Space group: P -1 Cell volume: 1364.39 Cell parameters: 9.3566; 12.1189; 12.7055; 94.49; 93.3; 107.554; |
COD ID: 1543371 | |
CIF file | Formula: - C42 H31 F N6 O6 S - Comments: Ansideri, Francesco; Schollmeyer, Dieter; Koch, Pierre 1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea methanol monosolvate IUCrData 1(5) (2016) x160840 Space group: C 1 2/c 1 Cell volume: 7063.6 Cell parameters: 15.1825; 17.7557; 26.2236; 90; 92.283; 90; |
COD ID: 1543417 | |
CIF file | Formula: - C15 H12 N4 O2 - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Khodairy, Ahmed; Albayati, Mustafa R.; Ahmed, Eman A. (4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione IUCrData 1(6) (2016) x160909 Space group: P -1 Cell volume: 1278.63 Cell parameters: 6.2175; 10.2646; 20.7094; 102.511; 94.343; 95.263; |
COD ID: 1543418 | |
CIF file | Formula: - C6 H5 Br2 N - Comments: Medjani, Meriem; Brihi, Ouarda; Bouraoui, Hazem; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean 3,5-Dibromo-4-methylpyridine IUCrData 1(6) (2016) x160859 Space group: P n m a Cell volume: 749.5 Cell parameters: 14.178; 6.9187; 7.6407; 90; 90; 90; |
COD ID: 1543419 | |
CIF file | Formula: - C14 H12 Cl2 Pd S2 - Comments: Bernès, Sylvain; Tiburcio, Jorge; Torrens, Hugo <i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II) IUCrData 1(6) (2016) x160852 Space group: P -1 Cell volume: 757.16 Cell parameters: 8.1594; 9.2419; 10.4393; 82.454; 77.443; 82.281; |
COD ID: 1543420 | |
CIF file | Formula: - C20 H18 Cl4 N2 O2 - Comments: Gomathi, S.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G. 2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide IUCrData 1(6) (2016) x160919 Space group: P -1 Cell volume: 1057.12 Cell parameters: 8.2338; 10.9617; 12.2646; 76.239; 83.571; 80.407; |
COD ID: 1543421 | |
CIF file | Formula: - C8 H16 N4 S2 - Comments: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Albayati, Mustafa R. Cyclohexane-1,4-diammonium dithiocyanate IUCrData 1(6) (2016) x160864 Space group: P 1 21/c 1 Cell volume: 1188.83 Cell parameters: 8.2286; 14.9146; 10.4058; 90; 111.423; 90; |
COD ID: 1543422 | |
CIF file | Formula: - C24 H39 Fe K O8 - Comments: Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro [K(18-crown-6)][FeCp*(CO)~2~] IUCrData 1(6) (2016) x160881 Space group: P 21 21 21 Cell volume: 2665.29 Cell parameters: 8.4761; 15.2842; 20.5734; 90; 90; 90; |
COD ID: 1543423 | |
CIF file | Formula: - C9 H6 Cl N O2 - Comments: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 5-Chloro-1-methylindoline-2,3-dione IUCrData 1(6) (2016) x160913 Space group: P 1 21/c 1 Cell volume: 847.94 Cell parameters: 3.9766; 11.9503; 17.947; 90; 96.163; 90; |
COD ID: 1543424 | |
CIF file | Formula: - C4 H12 Br3 N5 Zn - Comments: Germán-Acacio, Juan M.; Rivas Arzate, Chrystian; Cardenas-Valencia, Zeus; Flores-Alamo, Marcos; Morales-Morales, David (N-{Amino[(diaminomethylidene)amino]methylidene}-N-methylmethanaminium)tribromidozinc(II) IUCrData 1(6) (2016) Space group: P 1 21/c 1 Cell volume: 1197.83 Cell parameters: 12.8934; 7.6576; 13.2374; 90; 113.58; 90; |
COD ID: 1543425 | |
CIF file | Formula: - C11 H9 Cl N2 O S - Comments: Saravanan, K.; Elancheran, R.; Divakar, S.; Kabilan, S.; Selvanayagam, S. 2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide IUCrData 1(6) (2016) x160879 Space group: P -1 Cell volume: 1149.9 Cell parameters: 8.0406; 9.2313; 15.9898; 85.693; 76.448; 87.082; |
COD ID: 1543454 | |
CIF file | Formula: - C10 H8 Br2 N2 Pb - Comments: Zhang, Bi-Song; Wu, Chang-Sheng <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido] IUCrData 1(5) (2016) x160782 Space group: C 1 2/c 1 Cell volume: 1279.2 Cell parameters: 16.249; 9.878; 8.2425; 90; 104.79; 90; |
COD ID: 1543455 | |
CIF file | Formula: - C11 H19 N3 O3 - Comments: Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. Piperazin-1-ium 4-aminobenzoate monohydrate IUCrData 1(5) (2016) x160819 Space group: P n a 21 Cell volume: 1352.82 Cell parameters: 18.2964; 7.1388; 10.3574; 90; 90; 90; |
COD ID: 1543456 | |
CIF file | Formula: - C17 H13 Br N4 O - Comments: Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T. <i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide IUCrData 1(5) (2016) x160830 Space group: P 1 21/c 1 Cell volume: 1511.9 Cell parameters: 15.5151; 7.1752; 14.4593; 90; 110.072; 90; |
COD ID: 1543457 | |
CIF file | Formula: - C9 H6 Br N O2 - Comments: Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen 5-Bromo-1-methylindoline-2,3-dione IUCrData 1(5) (2016) x160792 Space group: P 1 21/n 1 Cell volume: 871.76 Cell parameters: 4.0634; 11.9235; 18.0978; 90; 96.17; 90; |
COD ID: 1543458 | |
CIF file | Formula: - C16 H22 Br4 - Comments: Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene IUCrData 1(5) (2016) x160820 Space group: P 21 21 21 Cell volume: 1769.71 Cell parameters: 8.2323; 12.9269; 16.6298; 90; 90; 90; |
COD ID: 1543459 | |
CIF file | Formula: - C18 H16 N O6 - Comments: Sivakumar, P.; Sudhahar, S.; Gunasekaran, B.; Israel, S.; Chakkaravarthi, G. 2-Methylpyridinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (2/1) IUCrData 1(5) (2016) x160817 Space group: C 1 2/c 1 Cell volume: 3188.6 Cell parameters: 13.0967; 8.1049; 30.3013; 90; 97.543; 90; |
COD ID: 1543460 | |
CIF file | Formula: - C14 H15 N3 O5 - Comments: Sangeetha, Ramalingam; Edison, Bellarmin; Thanikasalam, Kanagasabapathy; Kavitha, Savaridasson Jose; Balasubramani, Kasthuri 2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate IUCrData 1(5) (2016) x160794 Space group: P -1 Cell volume: 693.9 Cell parameters: 7.3951; 9.0021; 10.5163; 97.298; 92.096; 90.4322; |
COD ID: 1543461 | |
CIF file | Formula: - C8 H10 N2 O - Comments: Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre (<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime IUCrData 1(5) (2016) x160803 Space group: P 21 21 21 Cell volume: 1604.7 Cell parameters: 7.9149; 9.3676; 21.6431; 90; 90; 90; |
COD ID: 1543462 | |
CIF file | Formula: - C8 H11 F6 N3 O6 S2 - Comments: Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig 1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide IUCrData 1(5) (2016) x160824 Space group: C 1 c 1 Cell volume: 1706.51 Cell parameters: 12.4858; 14.0212; 9.848; 90; 98.179; 90; |
COD ID: 1543472 | |
CIF file | Formula: - C15 H15 N O4 S - Comments: Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate IUCrData 1(6) (2016) x160851 Space group: P -1 Cell volume: 739.17 Cell parameters: 4.731; 11.9082; 13.2907; 87.354; 82.381; 85.283; |
COD ID: 1543473 | |
CIF file | Formula: - C15 H10 Cl N O2 - Comments: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-Benzyl-5-chloroindoline-2,3-dione IUCrData 1(6) (2016) x160854 Space group: P 1 21/n 1 Cell volume: 2577.98 Cell parameters: 4.4576; 27.6646; 20.953; 90; 93.87; 90; |
COD ID: 1543474 | |
CIF file | Formula: - C9 H7 N3 O3 - Comments: Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone IUCrData 1(6) (2016) x160939 Space group: P -1 Cell volume: 440.83 Cell parameters: 7.6004; 7.92; 9.3621; 113.02; 91.404; 118.35; |
COD ID: 1543475 | |
CIF file | Formula: - C14 H15 Br2 N O2 - Comments: Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione IUCrData 1(6) (2016) x160883 Space group: P 21 21 21 Cell volume: 1483.83 Cell parameters: 4.6344; 12.6284; 25.3537; 90; 90; 90; |
COD ID: 1543476 | |
CIF file | Formula: - C24 H36 N6 O4 S4 - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R. 1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate IUCrData 1(6) (2016) x160946 Space group: P -1 Cell volume: 762.8 Cell parameters: 7.2571; 9.7909; 12.006; 112.984; 98.163; 96.909; |
COD ID: 1543477 | |
CIF file | Formula: - C18 H16 Cl2 N4 O2 S2 - Comments: Abusaadiya, Salima M.; Yamin, Bohari M.; Ngatiman, Fadzlee; Hasbullah, Siti Aishah 1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea] IUCrData 1(6) (2016) x160927 Space group: P -1 Cell volume: 487.09 Cell parameters: 6.0099; 8.7905; 9.2603; 91.03; 91.835; 94.878; |
COD ID: 1543478 | |
CIF file | Formula: - C17 H14 O4 - Comments: Gomes, Ralph C.; de Simoni, Deborah; Coelho, Fernando Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate IUCrData 1(6) (2016) x160925 Space group: P -1 Cell volume: 698.28 Cell parameters: 8.0416; 9.4577; 9.7397; 74.168; 84.636; 78.731; |
COD ID: 1543479 | |
CIF file | Formula: - C6 H10 N4 O3 - Comments: El Ghayati, Lhoussaine; Ramli, Youssef; Essassi, El Mokhtar; Taha, Mohamed Labd; Mague, Joel T. 5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate IUCrData 1(6) (2016) x160947 Space group: P 1 21/n 1 Cell volume: 1680.26 Cell parameters: 9.7953; 12.4179; 14.4833; 90; 107.49; 90; |
COD ID: 1543480 | |
CIF file | Formula: - C11 H8 Cl2 N2 O S - Comments: Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S. 2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide IUCrData 1(6) (2016) x160903 Space group: P 1 21/c 1 Cell volume: 1170.3 Cell parameters: 5.094; 14.738; 15.703; 90; 96.932; 90; |
COD ID: 1543481 | |
CIF file | Formula: - C11 H14 O3 - Comments: Knight, Kyle S.; Orick, Michael C. 4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol IUCrData 1(6) (2016) x160936 Space group: P -1 Cell volume: 498.02 Cell parameters: 5.7659; 8.5396; 10.804; 81.579; 88.02; 71.167; |
COD ID: 1543482 | |
CIF file | Formula: - C11 H8 Cl N O2 - Comments: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid 1-Allyl-5-chloroindoline-2,3-dione IUCrData 1(6) (2016) x160862 Space group: P c c n Cell volume: 2059.23 Cell parameters: 31.2222; 7.9107; 8.3373; 90; 90; 90; |
COD ID: 1543483 | |
CIF file | Formula: - C17 H13 N O3 S - Comments: Sebbar, Nada Kheira; Ellouz, Mohamed; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid 2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid IUCrData 1(6) (2016) x160863 Space group: P -1 Cell volume: 701.61 Cell parameters: 8.676; 8.7882; 9.8142; 78.2; 73.311; 86.242; |
COD ID: 1543484 | |
CIF file | Formula: - C4 H18 B2 Na2 O14 - Comments: Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam <i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate] IUCrData 1(6) (2016) x160948 Space group: P 1 21/n 1 Cell volume: 1466.48 Cell parameters: 7.8524; 14.8559; 12.6646; 90; 96.964; 90; |
COD ID: 1543485 | |
CIF file | Formula: - C8 H13 N7 O2 - Comments: Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate IUCrData 1(6) (2016) x160870 Space group: P -1 Cell volume: 531.86 Cell parameters: 7.2648; 8.7228; 8.9297; 82.834; 71.465; 85.478; |
COD ID: 1543486 | |
CIF file | Formula: - C14 H6 N2 O8 - Comments: Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi 1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone IUCrData 1(6) (2016) x160906 Space group: P 1 21/c 1 Cell volume: 1318.6 Cell parameters: 11.759; 7.2852; 15.967; 90; 105.42; 90; |
COD ID: 1543503 | |
CIF file | Formula: - C20 H27 Br Cl N O2 - Comments: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid 1-(12-Bromododecyl)-5-chloroindoline-2,3-dione IUCrData 1(6) (2016) x160971 Space group: P -1 Cell volume: 1018.94 Cell parameters: 8.0353; 8.3496; 17.1096; 84.491; 78.086; 65.126; |
COD ID: 1543504 | |
CIF file | Formula: - C23 H19 N3 O2 - Comments: Takase, Tsugiko; Soga, Yuka; Oyama, Dai 4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine IUCrData 1(6) (2016) x160950 Space group: P 1 21/a 1 Cell volume: 1827 Cell parameters: 18.28; 5.493; 18.298; 90; 96.02; 90; |
COD ID: 1543505 | |
CIF file | Formula: - C12 H6 Br2 N4 S - Comments: Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole IUCrData 1(6) (2016) x160960 Space group: P -1 Cell volume: 640.88 Cell parameters: 7.1617; 7.2787; 14.4257; 77.0382; 78.7453; 61.5479; |
COD ID: 1543506 | |
CIF file | Formula: - C20 H17 N3 O8 - Comments: Sivakumar, P.; Niranjana Devi, R.; Israel, S.; Chakkaravarthi, G. 3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1) IUCrData 1(6) (2016) x160979 Space group: P 1 21 1 Cell volume: 985.21 Cell parameters: 6.3586; 13.6276; 11.7469; 90; 104.559; 90; |
COD ID: 1543529 | |
CIF file | Formula: - C24 H20 N2 O6 - Comments: Rodriguez, Mark A.; Sava Gallis, Dorina F.; Chavez, James S.; Klivansky, Liana M.; Liu, Yi 4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate IUCrData 1(6) (2016) x160966 Space group: C 1 2/c 1 Cell volume: 1924.14 Cell parameters: 19.1437; 7.642; 13.2619; 90; 97.369; 90; |
COD ID: 1543530 | |
CIF file | Formula: - C7 H10 N8 O S2 - Comments: Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig 1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea IUCrData 1(6) (2016) x160992 Space group: P 1 2/n 1 Cell volume: 1277.11 Cell parameters: 16.51; 4.459; 17.5229; 90; 98.108; 90; |
COD ID: 1543531 | |
CIF file | Formula: - C10 H9 N O4 - Comments: Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate IUCrData 1(6) (2016) x160997 Space group: P 1 2/n 1 Cell volume: 1827.14 Cell parameters: 20.7884; 3.7215; 23.8849; 90; 98.582; 90; |
COD ID: 1543532 | |
CIF file | Formula: - C10 H6 Cl N O2 S - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. (5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione IUCrData 1(6) (2016) x160988 Space group: P 1 21/n 1 Cell volume: 968.61 Cell parameters: 3.9098; 40.7555; 6.0917; 90; 93.748; 90; |
COD ID: 1543533 | |
CIF file | Formula: - C8 H10 F3 N3 O3 - Comments: Jeevaraj, Muthaiah; Edison, Bellarmin; Kavitha, Savaridasson Jose; Thanikasalam, Kanagasabapathy; Britto, Sebastian; Balasubramani, Kasthuri 2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate IUCrData 1(6) (2016) x161010 Space group: P -1 Cell volume: 540.03 Cell parameters: 4.8087; 11.0283; 11.1135; 108.704; 96.174; 100.533; |
COD ID: 1543534 | |
CIF file | Formula: - C44 H128 Cl4 N8 O2 P4 Pd2 Si12 - Comments: Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate IUCrData 1(6) (2016) x160986 Space group: P -1 Cell volume: 2044.33 Cell parameters: 12.7331; 12.9694; 14.6354; 104.159; 101.358; 112.687; |
COD ID: 1543535 | |
CIF file | Formula: - C18 H16 N2 O2 S - Comments: Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one IUCrData 1(6) (2016) x161012 Space group: P b c a Cell volume: 3127.27 Cell parameters: 11.7526; 10.4082; 25.5656; 90; 90; 90; |
COD ID: 1543536 | |
CIF file | Formula: - C14 H11 N3 O2 - Comments: Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole IUCrData 1(6) (2016) x160961 Space group: P c a 21 Cell volume: 2457.69 Cell parameters: 33.4769; 7.4977; 9.7916; 90; 90; 90; |
COD ID: 1543537 | |
CIF file | Formula: - C30 H20 Cu2 N6 - Comments: Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)] IUCrData 1(6) (2016) x161007 Space group: F d d d Cell volume: 9521 Cell parameters: 10.857; 26.523; 33.064; 90; 90; 90; |
COD ID: 1543538 | |
CIF file | Formula: - C15 H13 Br N2 - Comments: Bauri, A. K.; Foro, Sabine; Nguyen, Nhu Do Quynh 2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole) IUCrData 1(6) (2016) x161005 Space group: P 1 21/n 1 Cell volume: 1329.6 Cell parameters: 5.8132; 19.763; 11.656; 90; 96.85; 90; |
COD ID: 1543539 | |
CIF file | Formula: - C23 H21 Cl N2 O - Comments: Ben Soumane, Yahya; Baouid, Abdesselam; El Hadrami, El Mestafa; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha (4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole IUCrData 1(6) (2016) x161022 Space group: P 1 21/c 1 Cell volume: 1957 Cell parameters: 19.564; 9.127; 11.001; 90; 94.88; 90; |
COD ID: 1543540 | |
CIF file | Formula: - C18 H16 N2 O2 - Comments: Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1<i>H</i>)-one IUCrData 1(6) (2016) x161013 Space group: P -1 Cell volume: 752.69 Cell parameters: 8.6905; 9.0249; 10.824; 68.803; 78.52; 72.98; |
COD ID: 1543541 | |
CIF file | Formula: - C11 H13 N3 O4 - Comments: Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate IUCrData 1(6) (2016) x161015 Space group: P 1 21/c 1 Cell volume: 1241.89 Cell parameters: 11.8614; 15.8834; 6.7495; 90; 102.411; 90; |
COD ID: 1543542 | |
CIF file | Formula: - C7 H7 Cs O4 - Comments: Smith, Graham A second monoclinic polymorph of caesium salicylate monohydrate IUCrData 1(6) (2016) x160980 Space group: P 1 21/n 1 Cell volume: 889.62 Cell parameters: 6.3365; 21.5911; 6.6167; 90; 100.661; 90; |
COD ID: 1543543 | |
CIF file | Formula: - C16 H21 N7 O9 - Comments: Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. Bis(creatininium) 3-nitrophthalate monohydrate IUCrData 1(6) (2016) x160989 Space group: P 1 21/c 1 Cell volume: 2056.04 Cell parameters: 7.6682; 16.5504; 16.2358; 90; 93.775; 90; |
COD ID: 1543574 | |
CIF file | Formula: - C15 H19 N7 O4 S2 - Comments: Öztürk, Filiz; Bulut, İclal; Yavuz, Yunus Emre; Bulut, Ahmet Sulfamethizole‒2-amino-4,6-dimethoxypyrimidine (1/1) IUCrData 1(6) (2016) x161030 Space group: P -1 Cell volume: 979.21 Cell parameters: 7.9645; 10.3576; 12.7222; 101.576; 101.64; 100.566; |
COD ID: 1543575 | |
CIF file | Formula: - C18 H40 N4 O6 S2 - Comments: Spendel, Katherine; Nazarenko, Alexander Y. 5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate) IUCrData 1(6) (2016) x161033 Space group: P 1 21/n 1 Cell volume: 1196.7 Cell parameters: 9.7931; 8.6816; 14.1098; 90; 94.003; 90; |
COD ID: 1543576 | |
CIF file | Formula: - C15 H17 N3 O2 - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Mohamed, Alaa F.; Albayati, Mustafa R. (4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione IUCrData 1(6) (2016) x161028 Space group: P 1 21/c 1 Cell volume: 1280.06 Cell parameters: 6.3184; 15.4673; 13.2528; 90; 98.762; 90; |
COD ID: 1543618 | |
CIF file | Formula: - C17 H16 N2 O3 S - Comments: Chong, Yan Yi; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B. 2-(3-Benzoylthioureido)-3-phenylpropanoic acid IUCrData 1(7) (2016) x161091 Space group: P 1 21/c 1 Cell volume: 1573.89 Cell parameters: 5.875; 25.9891; 10.3089; 90; 90.761; 90; |
COD ID: 1543619 | |
CIF file | Formula: - C9 H10 O3 - Comments: de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias 3,4-Dimethoxybenzaldehyde IUCrData 1(7) (2016) x161008 Space group: P n a 21 Cell volume: 825 Cell parameters: 11.374; 14.363; 5.05; 90; 90; 90; |
COD ID: 1543620 | |
CIF file | Formula: - C30 H23 Cl2 N6 Ni O8.5 - Comments: Anderer, Carolin; Näther, Christian; Bensch, Wolfgang Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate IUCrData 1(7) (2016) x161009 Space group: P 1 21/n 1 Cell volume: 3046.92 Cell parameters: 8.7733; 8.8342; 39.4158; 90; 94.15; 90; |
COD ID: 1543621 | |
CIF file | Formula: - C11 H11 N3 O4 - Comments: Rejouani, Fatima-Zahra; Mojahidi, Souad; Rakib, El Mostapha; Mdeghri Alaoui, Abdelouahed; Saadi, Mohamed; El Ammari, Lahcen Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate IUCrData 1(7) (2016) x161074 Space group: C 1 2/c 1 Cell volume: 2356.3 Cell parameters: 31.808; 4.6312; 19.0381; 90; 122.839; 90; |
COD ID: 1543622 | |
CIF file | Formula: - C15 H15 N O5 S - Comments: Tachallait, Hamza; Karrouchi, Khalid; Bougrin, Khalid; Mague, Joel T.; Ramli, Youssef Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate IUCrData 1(7) (2016) x161041 Space group: P -1 Cell volume: 741.93 Cell parameters: 6.1957; 10.646; 12.2909; 68.845; 78.971; 84.919; |
COD ID: 1543623 | |
CIF file | Formula: - C17 H11 Cl2 N3 Zn - Comments: Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc IUCrData 1(7) (2016) x161093 Space group: P -1 Cell volume: 779.01 Cell parameters: 7.9078; 8.27871; 13.4075; 73.8395; 79.2764; 68.1246; |
COD ID: 1543624 | |
CIF file | Formula: - C18 H12 N2 O3 S - Comments: Saravanan, K.; Archana, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S. 2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione IUCrData 1(7) (2016) x161053 Space group: P 1 21/c 1 Cell volume: 1504 Cell parameters: 7.004; 14.054; 15.275; 90; 90.368; 90; |
COD ID: 1543625 | |
CIF file | Formula: - C12 H12 O3 - Comments: Ramprasad, N.; Gowda, Ramakrishna; Gowda, K.V. Arjuna; Basanagouda, Mahantesha 2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid IUCrData 1(7) (2016) x161032 Space group: P 1 21/n 1 Cell volume: 1051.02 Cell parameters: 9.5048; 4.8237; 23.3395; 90; 100.829; 90; |
COD ID: 1543656 | |
CIF file | Formula: - C14 H12 N2 O6 - Comments: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 2-Methylpyridinium 2-carboxy-6-nitrobenzoate IUCrData 1(7) (2016) x161104 Space group: P 1 21/c 1 Cell volume: 1382.04 Cell parameters: 13.1617; 14.1804; 7.4923; 90; 98.758; 90; |
COD ID: 1543657 | |
CIF file | Formula: - C22 H32 O4 - Comments: Yusop, Sharifah Nurfazilah Wan; Sultan, Sadia; Yamin, Bohari M.; Shah, Syed Adnan Ali; Naz, Humera 11β-Hydroxymedroxyprogesterone IUCrData 1(7) (2016) x161075 Space group: P 1 21 1 Cell volume: 953 Cell parameters: 6.8692; 12.221; 11.7933; 90; 105.726; 90; |
COD ID: 1543658 | |
CIF file | Formula: - C20 H16 Br4 Cu2 N4 O4 - Comments: Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G. Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] IUCrData 1(7) (2016) x161029 Space group: P 1 21/c 1 Cell volume: 1171.8 Cell parameters: 8.0636; 8.4278; 17.2516; 90; 91.82; 90; |
COD ID: 1543659 | |
CIF file | Formula: - C66 H44 Cd2 N10 O15 - Comments: Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)] IUCrData 1(7) (2016) x161092 Space group: C 1 2/c 1 Cell volume: 6079.5 Cell parameters: 27.471; 7.423; 31.425; 90; 108.428; 90; |
COD ID: 1543660 | |
CIF file | Formula: - C15 H18 N2 O2 - Comments: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate IUCrData 1(7) (2016) x161098 Space group: P -1 Cell volume: 703.62 Cell parameters: 8.3253; 9.5065; 9.5909; 85.526; 70.885; 78.863; |
COD ID: 1543661 | |
CIF file | Formula: - C11 H10 N2 O4 - Comments: Amudha, M.; Gunasekaran, B.; Kumar, P. Praveen; Chakkaravarthi, G. 1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate IUCrData 1(7) (2016) x161025 Space group: P 1 21/n 1 Cell volume: 1109.5 Cell parameters: 12.8062; 5.4759; 15.84; 90; 92.709; 90; |
COD ID: 1543662 | |
CIF file | Formula: - C23 H19 Cl N2 O2 - Comments: Kumar, S. Madan; Manasa, D.; Kumar, Vasantha; Poojary, Boja; Byrappa, K.; Abdoh, M. M. M. Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate IUCrData 1(7) (2016) x161068 Space group: P 1 21/c 1 Cell volume: 2015.9 Cell parameters: 11.145; 9.878; 18.355; 90; 93.952; 90; |
COD ID: 1543663 | |
CIF file | Formula: - C21 H24 Cl3 N5 Na O5.5 - Comments: Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)] IUCrData 1(7) (2016) x161081 Space group: P 1 2/n 1 Cell volume: 2580 Cell parameters: 11.1721; 8.1249; 28.8799; 90; 100.213; 90; |
COD ID: 1543670 | |
CIF file | Formula: - C9 H11 N3 O S - Comments: Kassim, Karimah; Hashim, Nor Zakiah Nor; M.Yamin, Bohari; Zaki, Hamizah Mohd (<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide IUCrData 1(7) (2016) x161048 Space group: P 1 21/c 1 Cell volume: 1034.05 Cell parameters: 5.232; 9.9727; 19.99; 90; 97.5196; 90; |
COD ID: 1543671 | |
CIF file | Formula: - C24 H18 F N3 O2 - Comments: Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate IUCrData 1(7) (2016) x161124 Space group: P b c a Cell volume: 4016.3 Cell parameters: 18.4827; 9.8467; 22.0681; 90; 90; 90; |
COD ID: 1543672 | |
CIF file | Formula: - C11 H15 N3 O4 S - Comments: Thayanithi, V.; Kumar, P. Praveen; Chakkaravarthi, G. 2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate IUCrData 1(7) (2016) x161125 Space group: P 21 21 21 Cell volume: 1341.58 Cell parameters: 7.0564; 7.8593; 24.1907; 90; 90; 90; |
COD ID: 1543673 | |
CIF file | Formula: - C18 H9 N3 O2 S - Comments: Saravanan, K.; Divakar, S.; Elancheran, R.; Kabilan, S.; Selvanayagam, S. 4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile IUCrData 1(7) (2016) x161117 Space group: P -1 Cell volume: 1527 Cell parameters: 7.915; 12.1641; 17.255; 69.51; 79.5; 82.93; |
COD ID: 1543674 | |
CIF file | Formula: - C16 H17 N3 - Comments: El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen 1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole IUCrData 1(7) (2016) x161121 Space group: P 21 21 21 Cell volume: 1391.25 Cell parameters: 7.514; 10.3737; 17.8484; 90; 90; 90; |
COD ID: 1543675 | |
CIF file | Formula: - C40 H36 N2 O4 - Comments: Nozari, Mohammad; Kaur, Manpreet; Jasinski, Jerry P.; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud 5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate IUCrData 1(7) (2016) x161130 Space group: P 1 21/n 1 Cell volume: 1599.09 Cell parameters: 9.3621; 11.3559; 15.192; 90; 98.0838; 90; |
COD ID: 1543682 | |
CIF file | Formula: - C24 H34 N4 Pd S6 - Comments: Begum, K.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.; Begum, M. S. Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II) IUCrData 1(7) (2016) x161132 Space group: P 1 21/c 1 Cell volume: 2895.58 Cell parameters: 13.9118; 10.37486; 20.6696; 90; 103.929; 90; |
COD ID: 1543683 | |
CIF file | Formula: - C10 H7 Cl3 N4 O S2 - Comments: Madan Kumar, S.; Madhu Kumar, D. J.; Shivakumar, H. P.; Jagadeesha Prasad, D.; Byrappa, K.; Abdoh, M. M. M. 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide IUCrData 1(7) (2016) x161123 Space group: P 1 21/c 1 Cell volume: 1412.1 Cell parameters: 12.4679; 11.9467; 9.5278; 90; 95.701; 90; |
COD ID: 1543684 | |
CIF file | Formula: - C14 H16 N2 O3 - Comments: Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G. 2-Amino-3-methylpyridinium 4-methoxybenzoate IUCrData 1(7) (2016) x161126 Space group: P 1 21/n 1 Cell volume: 1323.66 Cell parameters: 12.2526; 6.6872; 16.6376; 90; 103.836; 90; |
COD ID: 1543726 | |
CIF file | Formula: - C10 H10 N4 O3 - Comments: Yassine, Hasna; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa Ethyl 2-[(azidocarbonyl)amino]benzoate IUCrData 1(7) (2016) x161155 Space group: C 1 2/c 1 Cell volume: 2296.2 Cell parameters: 9.33; 18.724; 13.484; 90; 102.898; 90; |
COD ID: 1543727 | |
CIF file | Formula: - C17 H12 Cl2 N2 O2 - Comments: Kumar, S. Madan; Manju, N.; Asma; Kalluraya, Balakrishna; Byrappa, K.; Warad, Ismail 5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde IUCrData 1(7) (2016) x161111 Space group: P 1 21/n 1 Cell volume: 1604 Cell parameters: 10.113; 13.278; 12.224; 90; 102.219; 90; |
COD ID: 1543728 | |
CIF file | Formula: - C44 H54 N8 Ni O20 - Comments: Beard, Torél; LaDuca, Robert L. Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate IUCrData 1(7) (2016) x161167 Space group: P -1 Cell volume: 2365.7 Cell parameters: 10.2857; 14.325; 17.794; 71.528; 79.919; 72.784; |
COD ID: 1543729 | |
CIF file | Formula: - C22 H32 N2 O2 - Comments: Sebhaoui, Jihad; Zang Ondo, Cherryl Mirabelle; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData 1(7) (2016) x161174 Space group: P -1 Cell volume: 1049.8 Cell parameters: 8.4132; 8.487; 16.67; 83.56; 85.919; 62.599; |
COD ID: 1543730 | |
CIF file | Formula: - C20 H13 B F2 N4 O - Comments: Wang, Bang Zhong; Zhou, Yong; Zhou, Jun Ping; Luo, Jian Song; Chi, Shao Ming 1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine IUCrData 1(7) (2016) x161129 Space group: P 1 21/n 1 Cell volume: 1698.7 Cell parameters: 10.144; 16.276; 10.491; 90; 101.27; 90; |
COD ID: 1543736 | |
CIF file | Formula: - C15 H16 O2 - Comments: Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione IUCrData 1(7) (2016) x161173 Space group: P 1 21 1 Cell volume: 547.1 Cell parameters: 8.199; 7.653; 8.986; 90; 104.005; 90; |
COD ID: 1543737 | |
CIF file | Formula: - C13 H15 F N2 S - Comments: Kadir, Aisyah; Abd Malek, Normyzatul Akmal; Mohd Zaki, Hamizah; Hasbullah, Siti Aishah; Yamin, Bohari M. 1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione IUCrData 1(7) (2016) x161189 Space group: C 1 2/c 1 Cell volume: 2634.4 Cell parameters: 21.231; 10.8714; 14.589; 90; 128.524; 90; |
COD ID: 1543738 | |
CIF file | Formula: - C26 H26 Si - Comments: Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z. 5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole IUCrData 1(7) (2016) x161151 Space group: P b c a Cell volume: 4068 Cell parameters: 7.49; 18.968; 28.635; 90; 90; 90; |
COD ID: 1543739 | |
CIF file | Formula: - C28 H20 Br2 Cl N3 O2 S - Comments: AaminaNaaz, Y.; Kamalraja, Jayabal; Vimala, G.; Perumal, Paramasivam T.; SubbiahPandi, A. 2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate IUCrData 1(7) (2016) x161197 Space group: P 1 21/n 1 Cell volume: 2826.3 Cell parameters: 12.4962; 12.8055; 17.6834; 90; 92.82; 90; |
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