Crystallography Open Database

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1558437 CIF
HKL
Paper
C17 H13 N OP -15.8686; 7.4955; 15.2792
102.195; 90.649; 90.454
656.86Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef
4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile
IUCrData, 2020, 5, x200800
1558456 CIF
HKL
Paper
C30 H39 B I3 N2P 1 21/c 116.01; 12.5361; 16.3086
90; 90.041; 90
3273.2Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael
[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate
IUCrData, 2020, 5, x200863
1558561 CIF
HKL
C56 H20 F20 N4 ZnC 1 2/c 134.176; 6.3699; 26.382
90; 123.428; 90
4793.2Lin, Zeyuan; Li, Jianfeng
[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate
IUCrData, 2020, 5, x200877
1558562 CIF
Paper
C16 H14 F N O3P 1 21 19.74134; 9.83313; 14.91737
90; 98.2662; 90
1414.06Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.
(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid
IUCrData, 2020, 5, x200897
1558563 CIF
HKL
Paper
C29 H25 F N2 O4P 1 21/n 18.996; 15.921; 18.297
90; 102.59; 90
2557.6Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian
Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)
IUCrData, 2020, 5, x200912
1558564 CIF
HKL
Paper
C12 H13 N O2P 1 21 15.7173; 7.346; 12.436
90; 93.07; 90
521.6Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.
7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one
IUCrData, 2020, 5, x200919
1558565 CIF
HKL
Paper
C22 H15 N3 O2P 21 21 217.2994; 9.6105; 23.9296
90; 90; 90
1678.68Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah
(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone
IUCrData, 2020, 5, x200857
1558619 CIF
HKL
Paper
C32 H48 N12 O8 Os3 P4P b c a18.75; 15.8889; 27.5984
90; 90; 90
8222.03Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.
1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)
IUCrData, 2020, 5, x200935
1558620 CIF
HKL
Paper
C17 H10 Br Cl2 N O2C 1 2/c 155.051; 3.8355; 35.979
90; 125.214; 90
6207Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.
(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one
IUCrData, 2020, 5, x200937
1558621 CIF
HKL
Paper
C93 H138 I Mo3 N3 S13P 3 1 c23.6627; 23.6627; 10.9815
90; 90; 120
5325Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.
Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide
IUCrData, 2020, 5, x200939
1558656 CIF
HKL
Paper
C8 H12 Cu3 N5C 1 2 112.6825; 8.3355; 7.2205
90; 120.444; 90
658.07Corfield, Peter W. R.; Stavola, Thomas James
Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid
IUCrData, 2020, 5, x200968
1558657 CIF
HKL
Paper
C31 H26 Cl2 N2 OP -19.8084; 11.6806; 12.0754
77.474; 85.686; 80.742
1331.8Shraddha, K. N.; Begum, Noor Shahina
2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol
IUCrData, 2020, 5, x200870
1558658 CIF
HKL
Paper
C25 H29 Cl N2 O7P 21 21 219.2324; 11.1656; 23.3497
90; 90; 90
2407.01Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate
IUCrData, 2020, 5, x200945
1558666 CIF
HKL
Paper
C15 H12.5 Cu I N2.5P -17.9004; 10.426; 10.5078
99.903; 104.93; 110.061
752.55Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.
Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]
IUCrData, 2020, 5, x200998
1558687 CIF
HKL
Paper
C19 H24 O5P 1 21/c 113.1494; 9.6899; 14.8185
90; 113.295; 90
1734.2Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter
Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate
IUCrData, 2020, 5, x201018
1558688 CIF
HKL
Paper
C8 H6 N6 Pt S4P 1 21/c 16.1778; 7.77; 14.8862
90; 95.935; 90
710.73Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.
<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
IUCrData, 2020, 5, x200980
1558724 CIF
HKL
Paper
C21 H15 F N2 O4 SP 1 21/c 19.8726; 15.8054; 11.8345
90; 94.679; 90
1840.51Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya
3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one
IUCrData, 2020, 5, x201028
1558815 CIF
HKL
Paper
Cl9 S UP 21 21 2110.534; 10.545; 11.217
90; 90; 90
1246Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian
Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]
IUCrData, 2020, 5, x200960
1558816 CIF
HKL
Paper
C18 H22 Cd N8 O12P -17.191; 8.698; 10.987
112.289; 92.827; 101.656
616.7Ibragimov, Avazbek
Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
IUCrData, 2020, 5, x200843
1558818 CIF
HKL
Paper
C25 H25 N3 O4P 21 21 217.8041; 22.8879; 25.267
90; 90; 90
4513.2Shripanavar, Chetan Shrimandhar; Butcher, Ray J.
(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide
IUCrData, 2020, 5, x201060
1558830 CIFC16 H15 N O4P -18.336; 10.178; 16.326
82.284; 76.557; 87.081
1334.73Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.
1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one
IUCrData, 2020, 5, x201005
1558831 CIF
HKL
Paper
C11 H16 N2 SeP 1 21/n 112.0239; 7.1317; 12.6836
90; 101.104; 90
1067.27Detert, Heiner; Schollmeyer, Dieter
<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene
IUCrData, 2020, 5, x201081
1558860 CIF
HKL
Paper
C18 H22 Ca O12P 1 21/n 15.3477; 26.6084; 7.7367
90; 106.715; 90
1054.37Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.
Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)
IUCrData, 2020, 5, x201092
1558931 CIF
HKL
Paper
C10 H11 N3 O6P -16.7463; 9.036; 9.3954
81.005; 85.099; 88.7
563.6Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.
<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide
IUCrData, 2020, 5, x201121
1559018 CIF
HKL
Paper
C10 H32 Cl2 N4 Ni O2F d d 224.7168; 16.6156; 8.3805
90; 90; 90
3441.7Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.
<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride
IUCrData, 2020, 5, x201182
1559019 CIF
HKL
Paper
C11 H11 N O2P 1 21/c 15.5622; 18.891; 9.6524
90; 104.454; 90
982.1Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.
Ethyl 1<i>H</i>-indole-2-carboxylate
IUCrData, 2020, 5, x201205
1559020 CIF
HKL
Paper
C27 H38 O4P 21 21 217.4768; 16.219; 19.4101
90; 90; 90
2353.8Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe
Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~
IUCrData, 2020, 5, x201200
1559021 CIF
HKL
Paper
C116 H112 O16 Os4 P4P 1 21/c 112.71423; 17.04149; 26.1784
90; 96.7054; 90
5633.26Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.
Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)
IUCrData, 2020, 5, x201204
1559022 CIF
HKL
Paper
C27 H18 N2P 1 21/n 19.642; 11.407; 17.858
90; 103.606; 90
1909Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun
11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline
IUCrData, 2020, 5, x201213
1559023 CIF
HKL
Paper
C20 H16 O3P 1 21/n 112.4519; 7.8785; 15.668
90; 105.253; 90
1482.92Sung, Jiha
3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
IUCrData, 2020, 5, x201209
1559074 CIF
HKL
Paper
C27 H19 F2 NP -19.394; 9.802; 11.914
88.983; 73.144; 69.488
979Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang
6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine
IUCrData, 2020, 5, x201241
1559075 CIF
HKL
Paper
C28 H24 Co F6 Fe2 O6P -17.725; 12.721; 14.609
70.67; 82.88; 80.46
1332.3Wang, Shujing; Han, Heguo; Han, Yuyang
Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)
IUCrData, 2020, 5, x201240
1559092 CIF
HKL
Paper
C12 H16 Cl2 N8 O4P 1 21/c 113.2096; 4.9765; 13.5673
90; 98.603; 90
881.85Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam
2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)
IUCrData, 2020, 5, x201239
1559093 CIF
HKL
Paper
C20 H14 N6P 1 21/c 18.4636; 9.8402; 22.701
90; 105.917; 90
1818.1Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei
(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile
IUCrData, 2020, 5, x201246
1559124 CIF
HKL
Paper
C40 H36 B2 N4 O5P 1 21/c 116.7584; 13.6696; 16.0291
90; 111.125; 90
3425.2Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.
2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]
IUCrData, 2020, 5, x201248
1559209 CIF
HKL
Paper
C40 H24 Fe N14P -19.8291; 10.0499; 11.0308
98.825; 90.9; 117.747
948.19Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher
Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide
IUCrData, 2020, 5, x201278
1559210 CIF
HKL
Paper
C22 H21 N O4P 1 21/n 18.2694; 21.1783; 10.705
90; 111.117; 90
1748.89Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.
10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate
IUCrData, 2020, 5, x201276
1559211 CIF
HKL
Paper
C26 H48 N4 Si3P 1 21/c 120.6543; 8.365; 17.5215
90; 97.371; 90
3002.23Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro
2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane
IUCrData, 2020, 5, x201299
1559228 CIF
HKL
Paper
C11 H17 Br O2P -17.577; 7.6838; 10.2038
101.843; 90.893; 104.642
561.11Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner
<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene
IUCrData, 2020, 5
1559229 CIF
HKL
Paper
C18 H13 Cl2 F3 N4 O3 S ZnP 1 21/n 17.655; 15.329; 18.486
90; 92.088; 90
2167.8Adrian, Rafael A.; Arman, Hadi D.
Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate
IUCrData, 2020, 5
1559332 CIF
HKL
Paper
C6 H7 N3 O2P 1 21/c 17.413; 9.2858; 10.1238
90; 102.841; 90
679.45Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.
Pyridine-4-carboxamidoxime <i>N</i>-oxide
IUCrData, 2020, 5, x201335
1559333 CIF
HKL
Paper
C9 H13 N3 OC 1 2/c 124.7018; 6.3093; 13.2103
90; 118.05; 90
1817.01Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.
4-(Dimethylamino)benzohydrazide
IUCrData, 2020, 5, x201310
1559354 CIF
HKL
C15 H10 Cl N5 O6 ZnP -112.1001; 13.3139; 13.4869
62.471; 63.694; 87.388
1692.2Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.
(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)
IUCrData, 2020, 5, x201344
1559391 CIF
HKL
Paper
C12 H12 O3P 1 21/c 16.3136; 11.6138; 12.633
90; 95.292; 90
922.36Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao
7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione
IUCrData, 2020, 5, x201380
1559407 CIF
HKL
Paper
C14 H12 N2 O4P 1 21/c 16.5499; 7.6232; 25.6211
90; 96.216; 90
1271.77Böhme, Uwe; Fels, Sabine
6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one
IUCrData, 2020, 5, x201384
1559408 CIF
HKL
C12 H10 O6P c a 2125.006; 5.0337; 8.5646
90; 90; 90
1078.05Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen
(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework
IUCrData, 2020, 5, x201391
1559417 CIF
HKL
Paper
Al2.95 Cr0.59C 1 2/c 117.7519; 30.485; 17.7526
90; 91.061; 90
9605.5Geng, Xu; Wen, Bin; Fan, Changzeng
Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al‒Cr system
IUCrData, 2020, 5
1559437 CIF
HKL
Paper
C18 H23 N O7P 1 21/c 19.9429; 9.3845; 20.7845
90; 91.55; 90
1938.67Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.
Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate
IUCrData, 2020, 5, x201228
1559484 CIF
HKL
Paper
C8 H16 N2 SiP 21 21 216.1056; 10.8114; 15.5867
90; 90; 90
1028.88Böhme, Uwe; Bitto, Florian
(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane
IUCrData, 2020, 5, x201444
1559529 CIF
HKL
Paper
C12 H13 Br N2 SP 1 21/c 116.2976; 6.1294; 12.2221
90; 99.07; 90
1205.65Eigner, Václav
Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide
IUCrData, 2020, 5, x201511

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