Crystallography Open Database

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1542452 CIF
HKL
Paper
C16 H21 F N2 O3 SP 1 21/c 111.5613; 16.4245; 8.873
90; 107.768; 90
1604.5Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy
(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide
IUCrData, 2016, 1, x160013
1542453 CIF
HKL
C12 H11 N SF d d 217.743; 37.3075; 6.142
90; 90; 90
4065.7Mdluli, Velabo; Golen, James A.; Manke, David R.
2-(Phenylsulfanyl)aniline
IUCrData, 2016, 1, x152489
1542454 CIF
HKL
Paper
C6 H6 Br NP 1 21/m 16.1889; 6.614; 7.835
90; 93.503; 90
320.11Roy, Mrittika; Golen, James A.; Manke, David R.
2-Bromo-5-methylpyridine
IUCrData, 2016, 1, x160090
1542455 CIF
HKL
Paper
C10 H10 N4 OP b c a10.2208; 10.8693; 18.1059
90; 90; 90
2011.44Cunha, 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, 2016, 1, x160038
1542456 CIF
HKL
Paper
C35 H32 Au2 Fe O P2 SP 1 21/n 113.7434; 12.6277; 18.763
90; 98.352; 90
3221.7Itai, 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, 2016, 1, x152492
1542457 CIF
HKL
Paper
C52 H36 Cd N10 O4P -19.2984; 9.3261; 12.5747
107.16; 103.719; 96.55
992.1Guo, 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, 2016, 1, x160063
1542458 CIF
HKL
Paper
C34 H40 B N3 O2P 1 21/c 114.3033; 10.3598; 20.2825
90; 105.468; 90
2896.6Tiritiris, Ioannis; Kantlehner, Willi
2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate
IUCrData, 2016, 1, x160109
1542459 CIF
HKL
C17 H19 CoP 1 21/n 18.0307; 14.4939; 22.2528
90; 98.814; 90
2559.55Jungk, Phillip; Spannenberg, Anke; Hapke, Marko
Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)
IUCrData, 2016, 1, x160027
1542460 CIF
HKL
C8 H12 N4 O2P 1 21/c 110.5015; 23.561; 7.7533
90; 96.604; 90
1905.6Beliaev, 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, 2016, 1, x152488
1542461 CIF
HKL
Paper
C23 H30 Cl N O4P -19.205; 9.688; 12.943
104.871; 91.465; 100.983
1091.8Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.
Tramadolium 2-chlorobenzoate
IUCrData, 2016, 1, x160014
1542462 CIF
HKL
Paper
C11 H13 Cl OP 1 21/c 15.2434; 25.902; 7.7027
90; 104.756; 90
1011.64Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin
5-Chloro-1-phenylpentan-1-one
IUCrData, 2016, 1, x160055
1542463 CIF
HKL
Paper
C48 H40 Mo4 O16 P4P b c n16.1061; 19.891; 15.254
90; 90; 90
4886.9Mota 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, 2016, 1, x160036
1542464 CIF
HKL
Paper
C23 H25 Cd N3 S4P 1 21/n 18.9361; 14.832; 18.968
90; 101.613; 90
2462.6Ehsan, 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, 2016, 1, x152429
1542465 CIF
HKL
C18 H17 Cl N2 OP -111.0767; 12.067; 12.16
90.825; 102.561; 95.142
1579.1Adam, 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, 2016, 1, x152460
1542466 CIF
Paper
C20 H19 N O3 PtP 1 21/c 113.225; 15.0844; 8.4294
90; 93.951; 90
1677.59Bui, 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, 2016, 1, x152428
1542467 CIF
HKL
Paper
C10 H15 N O4P 1 21/c 17.328; 17.0138; 8.9223
90; 107.818; 90
1059.05Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T.
3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate
IUCrData, 2016, 1, x152453
1542468 CIF
HKL
Paper
C24 H30 N4 O4P 1 21/n 18.1476; 17.6289; 8.8692
90; 114.835; 90
1156.1Alshawi, 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, 2016, 1, x160046
1542469 CIF
HKL
Paper
C40 H52 Li2 N2 O4 S2P -19.654; 9.9211; 11.2854
73.537; 88.138; 72.42
986.5Mdluli, 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, 2016, 1, x160130
1542470 CIF
Paper
C12 H13 Cl Fe OP 1 21/n 16.0366; 7.6215; 23.0837
90; 91.737; 90
1061.55McAdam, C. John; Simpson, Jim
2-Chloro-1-ferrocenylethanol
IUCrData, 2016, 1, x160102
1542471 CIF
HKL
Paper
C18 H26 N2 O2P -18.1839; 9.1461; 11.7669
106.557; 97.687; 96.63
825.65Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim
3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)
IUCrData, 2016, 1, x152175
1542472 CIF
HKL
C16 H20 N2 O8P -15.4194; 9.0619; 9.4607
81.285; 82.771; 77.208
445.8Wang, Yi; Stoeckli-Evans, Helen
Tetraethyl pyrazine-2,3,5,6-tetracarboxylate
IUCrData, 2016, 1, x152174
1542473 CIF
HKL
C10 H14 N8 O6.5C 1 2/c 121.494; 6.43; 19.193
90; 99.98; 90
2612.5Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert
Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate
IUCrData, 2016, 1, x160048
1542474 CIF
HKL
Paper
C10 H24 N6 O6 SP 1 21/c 19.7194; 9.4737; 17.9416
90; 105.386; 90
1592.83Tiritiris, Ioannis; Kantlehner, Willi
Morpholine-4-carboxamidinium sulfate
IUCrData, 2016, 1, x160069
1542475 CIF
HKL
Paper
C26 H45 Br2 N6 O1.5P 1 21/c 112.1957; 7.9654; 30.4821
90; 97.934; 90
2932.8Tiritiris, 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, 2016, 1, x160047
1542476 CIF
HKL
Paper
C16 H19 Cl2 N O2 PtP 1 21/n 115.1282; 7.25666; 16.3038
90; 108.013; 90
1702.11Bui, 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, 2016, 1, x152176
1542477 CIF
HKL
Paper
C13 H15 Cl4 N3P -17.0474; 9.7775; 12.8695
71.744; 89.177; 72.582
800.44Klass, Michaela; Näther, Christian; Tuczek, Felix
6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate
IUCrData, 2016, 1, x152467
1542478 CIF
HKL
Paper
Ba5.78 Cl2 F12 Pb1.22P -610.5878; 10.5878; 4.1528
90; 90; 120
403.17Weil, Matthias
The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~
IUCrData, 2016, 1, x152427
1542479 CIF
HKL
Paper
C17 H19 N O3P 1 21/c 113.669; 10.817; 10.9271
90; 109.365; 90
1524.25Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig
<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate
IUCrData, 2016, 1, x152490
1542480 CIF
HKL
Paper
C15 H13 N2 PP 1 21/n 110.2774; 7.4256; 17.4094
90; 92.472; 90
1327.38Duan, Lian; Ma, Fengle; Zheng, Wenjun
1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole
IUCrData, 2016, 1, x160083
1542481 CIF
HKL
Paper
C14 H15 Br I N O2P -17.3066; 7.9672; 12.8467
72.994; 86.5; 87.152
713.42Barnes, Paul; Storey, John M. D.; Harrison, William T. A.
Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate
IUCrData, 2016, 1, x152178
1542482 CIF
HKL
C18 H12 Na2 O6 S2P 1 21/c 117.662; 8.2854; 5.9719
90; 91.38; 90
873.7Albat, 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, 2016, 1, x160039
1542483 CIF
HKL
Paper
C10 H10 Cl2 N4 OP 1 21/c 112.1802; 7.3646; 13.9001
90; 112.276; 90
1153.82Cunha, 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, 2016, 1, x152447
1542484 CIF
HKL
C14 H28 N2 O8 S2P 15.0283; 5.058; 20.8394
86.645; 83.338; 68.908
491.08Nageshwari, 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, 2016, 1, x152459
1542485 CIF
HKL
Paper
C36 H40 S4C 1 2/c 111.2972; 13.0708; 21.3833
90; 98.4; 90
3123.7Sohr, 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, 2016, 1, x152426
1542486 CIF
Paper
C21 H22 Br N O4C 1 c 116.0067; 8.9455; 16.1617
90; 128.853; 90
1802.17Abdelhamid, 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, 2016, 1, x152425
1542487 CIF
HKL
Paper
C15 H16 Br N O2 S2P 1 21/n 17.8958; 8.0536; 25.2735
90; 97.909; 90
1591.84Vinduvahini, 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, 2016, 1, x160015
1542488 CIF
HKL
Paper
C6 H16 Cl2 N2 O2 S2 ZnP -16.907; 10.32; 10.707
68.331; 81.936; 71.917
673.9Kuwamura, Naoto; Laskar, Payel; Konno, Takumi
(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II)
IUCrData, 2016, 1, x160105
1542489 CIF
HKL
Paper
C14 H13 N O2 S2P -16.9841; 8.3241; 13.116
89.276; 75.614; 72.095
701.2El 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, 2016, 1, x160052
1542490 CIF
HKL
Paper
C24 H24 Cl N O4P -17.621; 10.753; 13.138
92.102; 93.806; 91.275
1073.2Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.
Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUCrData, 2016, 1, x160155
1542491 CIF
HKL
Paper
C12 H11 Cl Fe OP 1 21 17.4235; 9.6339; 7.5209
90; 99.728; 90
530.14McAdam, C. John; Simpson, Jim
2-Chloro-1-ferrocenylethanone
IUCrData, 2016, 1, x152177
1542492 CIF
HKL
Paper
C25 H20 O12P b c a20.944; 9.316; 24.309
90; 90; 90
4743Moriguchi, 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, 2016, 1, x160028
1542493 CIF
HKL
Paper
C50 H68 N2 O4 S4P 1 21/c 120.7072; 20.4462; 12.8292
90; 107.294; 90
5186.1Omran, 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, 2016, 1, x160115
1542494 CIF
HKL
Paper
C27 H44 N4 P2 RuP -110.922; 11.661; 13.641
86.619; 79.75; 62.441
1515.1Ren, 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, 2016, 1, x160110
1542495 CIF
HKL
Paper
C8 H5 Br N O2.5C 1 2/c 17.4556; 12.9055; 16.334
90; 95.063; 90
1565.5Turbitt, John R.; Golen, James A.; Manke, David R.
6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate
IUCrData, 2016, 1, x152434
1542496 CIF
HKL
Paper
C12 H16 N2 O2 SP 21 21 217.351; 12.452; 13.423
90; 90; 90
1228.7Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.
3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
IUCrData, 2016, 1, x152457
1542497 CIF
HKL
Paper
C20 H24 O4 S2P 1 21/n 112.1691; 13.1263; 12.275
90; 99.818; 90
1932Moriguchi, 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, 2016, 1, x160082
1542502 CIF
HKL
C11 H10 O3P 1 21/c 112.209; 20.3796; 7.4335
90; 95.98; 90
1839.5Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha
2-(5-Methyl-1-benzofuran-3-yl)acetic acid
IUCrData, 2016, 1, x160170
1542503 CIF
HKL
Paper
C18 H20 N2 O5P 1 21/c 122.135; 8.468; 8.6198
90; 93.287; 90
1613Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko
2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
IUCrData, 2016, 1, x160167
1542504 CIF
HKL
C11 H10 N2 O3P 21 21 215.1565; 12.4881; 15.1083
90; 90; 90
972.9Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner
1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one
IUCrData, 2016, 1, x160125
1542505 CIF
HKL
Paper
C26 H30 O8P 21 21 218.877; 14.533; 17.748
90; 90; 90
2289.7Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do
Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon)
IUCrData, 2016, 1, x160172

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