Crystallography Open Database

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2243506 CIF
HKL
C8 H5 Cu I N S2C 1 c 115.174; 4.1188; 15.785
90; 92.98; 90
985.2Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.
Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands
Acta Crystallographica Section E, 2020, 76, 1336-1344
2243507 CIF
HKL
Paper
C26 H26 Cl6 N12 O4 Zn4P -19.2002; 9.4306; 11.7651
94.639; 110.091; 97.599
941.46Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed
Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)
Acta Crystallographica Section E, 2020, 76, 1349-1352
2243508 CIF
HKL
Paper
C15 H23 I N2P 1 21/c 17.4471; 9.9016; 22.052
90; 94.184; 90
1621.7Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide
Acta Crystallographica Section E, 2020, 76, 1357-1360
2243509 CIF
HKL
C7.5 H10.5 I0.5 NP 1 21 17.3471; 9.9672; 10.9499
90; 94.671; 90
799.2Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide
Acta Crystallographica Section E, 2020, 76, 1357-1360
2243510 CIF
HKL
Paper
C12 H9 F5 N2 O WP 1 21/n 17.1664; 15.5088; 11.6516
90; 101.202; 90
1270.31Turnbull, Douglas; Gerken, Michael
Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline)
Acta Crystallographica Section E, 2020, 76, 1345-1348
2243511 CIF
HKL
Paper
C16 H30 N4 O8 S2P 1 21/c 15.6085; 18.1641; 10.6884
90; 97.86; 90
1078.63Udvardy, Antal; De, Sourav; Gál, Tamás Gyula; Papp, Gábor; Czégéni, Csilla Eniko; Joó, Ferenc
Crystal structure of zwitterionic 3,3'-[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate
Acta Crystallographica Section E, 2020, 76, 1353-1356
2243512 CIF
HKL
Paper
C32 H28 N2 OP -18.7807; 11.9566; 12.9121
77.982; 78.711; 75.612
1269.4Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.
Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent
Acta Crystallographica Section E, 2020, 76, 1365-1368
2243513 CIF
HKL
Paper
C23 H20 N2 O2P 1 21/n 19.0844; 18.7227; 11.2708
90; 104.848; 90
1853Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad
Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione
Acta Crystallographica Section E, 2020, 76, 1361-1364
2243514 CIF
HKL
Paper
C31 H31 B2 Br Fe N10P -110.5035; 15.2782; 20.9003
80.266; 86.443; 78.066
3233Ossinger, Sascha; Näther, Christian; Tuczek, Felix
Crystal structure of bis(5-bromo-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate
Acta Crystallographica Section E, 2020, 76, 1398-1402
2243515 CIF
HKL
Paper
C12 H24 Co N6 S4P 1 21/c 113.3288; 11.214; 13.8579
90; 97.667; 90
2052.8Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian
Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Acta Crystallographica Section E, 2020, 76, 1373-1377
2243516 CIF
HKL
Paper
In1.68 Mn0.87 Na2.22 O12 P3C 1 2/c 112.412; 12.855; 6.599
90; 114.727; 90
956.4Badri, Abdessalem; Alvarez-Serrano, Inmaculada; Luisa López, María; Ben Amara, Mongi
Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na~2.22~Mn~0.87~In~1.68~(PO~4~)~3~
Acta Crystallographica Section E, 2020, 76, 1369-1372
2243517 CIF
HKL
Paper
C101 H127 Al6 Dy N21 Na5 O42C 1 c 122.6809; 20.5788; 27.6206
90; 101.59; 90
12628.9Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets
Acta Crystallographica Section E, 2020, 76, 1378-1390
2243518 CIF
HKL
C200.01 H245.35 Al12 Dy2 N41.34 Na10 O81.34P 1 c 128.1847; 15.3683; 30.7354
90; 106.461; 90
12767.4Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets
Acta Crystallographica Section E, 2020, 76, 1378-1390
2243519 CIF
HKL
Paper
C7 H5 I2 N O2P 1 21/c 14.3815; 15.3348; 14.5894
90; 96.588; 90
973.78Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean
Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene
Acta Crystallographica Section E, 2020, 76, 1391-1397
2243520 CIF
HKL
Paper
C7 H5 Br3P 1 21/n 114.3484; 3.9955; 15.6975
90; 110.519; 90
842.83Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean
Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene
Acta Crystallographica Section E, 2020, 76, 1391-1397
2243521 CIF
HKL
Paper
C18 H13 Fe N O2P 1 21/n 15.9573; 29.381; 8.0664
90; 100.202; 90
1389.55Delgado Rivera, Sara M.; González Espiet, Jean C.; Dones, Jesús M.; Henríquez López, Sebastián A.; Guadalupe, Ana R.; Piñero Cruz, Dalice M.; Montes González, Ingrid
Crystal structure of 1-ferrocenyl-2-(4-nitrophenyl)ethyne
Acta Crystallographica Section E, 2020, 76, 1403-1406
2243522 CIF
Paper
K O7 P2 ScP 1 21/c 17.4634; 10.3902; 8.3747
90; 106.49; 90
622.715Redhammer, Günther J.; Tippelt, Gerold
The crystal structure of KScP~2~O~7~
Acta Crystallographica Section E, 2020, 76, 1412-1416
2243523 CIF
HKL
Paper
C42 H88 Br4 N4 O10 Zn6P 1 21/n 112.1464; 21.0777; 12.5842
90; 115.277; 90
2913.3Scheel, Rebecca; Brieger, Lukas; Louven, Kathrin; Strohmann, Carsten
Synthesis and crystal structure of [Zn~6~Br~4~(C~9~H~18~NO)~4~(OH)~4~]·2C~3~H~6~O~2~
Acta Crystallographica Section E, 2020, 76, 998-1002
2243524 CIF
Paper
Cu4 Fe Ge2 S7C 1 2 111.7405; 5.3589; 8.342
90; 98.661; 90
518.86Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.
Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~
Acta Crystallographica Section E, 2020, 76, 1117-1121
2243525 CIF
Paper
Co Cu4 Ge2 S7C 1 2 111.728; 5.33987; 8.33133
90; 98.668; 90
515.798Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.
Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~
Acta Crystallographica Section E, 2020, 76, 1117-1121
2243526 CIF
HKL
Paper
C64 H55 Fe O3 P3 Pt S2P 1 21/c 112.0071; 36.1737; 13.698
90; 111.97; 90
5517.5Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten
Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]
Acta Crystallographica Section E, 2020, 76, 1087-1091
2243527 CIF
HKL
Paper
C28 H47 Cs O Si3 YbP 1 21/n 19.4401; 16.8718; 21.0246
90; 92.0668; 90
3346.4Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.
Crystal structure of the [(THF)Cs(μ-η^5^:η^5^-Cp')~3~Yb]~<i>n~</i> oligomer
Acta Crystallographica Section E, 2020, 76, 1131-1135
2243528 CIF
HKL
Paper
C20 H17 F2 N4 O2 PP 1 21/n 17.3811; 14.9963; 16.9217
90; 102.138; 90
1831.2Weil, Matthias; Fürst, Markus
Crystal structure of (1,4-diphenyl-4<i>H</i>-1,2,4-triazol-3-yl)phenylamine difluorophosphate, and a survey of the difluorophosphate anion (PO~2~F~2~^{-^})
Acta Crystallographica Section E, 2020, 76, 1003-1006
2243529 CIF
HKL
Paper
C15 H9 N O4P 1 21/c 18.079; 20.134; 7.915
90; 116.647; 90
1150.7Oskolkov, Evgenii; Kornilova, Tatiana; Chavez, Preciosa America; Tillotson, John P.; Timofeeva, Tatiana V.
Structural (at 100K) and DFT studies of 2'-nitroflavone
Acta Crystallographica Section E, 2020, 76, 1417-1420
2243530 CIF
HKL
Paper
C13 H14 O4 S5P -17.1843; 9.9198; 12.523
84.319; 83.574; 69.151
827.11Cordero Giménez, Keysha T.; Soto Díaz, Victoria Y.; González Espiet, Jean C.; Levín Flores, Alexis; Bas Concepción, Jesbaniris; Rivera Cruz, Kevin E.; Rodríguez Ayala, Dara L.; Piñero Cruz, Dalice M.
Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3'-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(pentane-2,4-dione)
Acta Crystallographica Section E, 2020, 76, 1427-1432
2243531 CIF
HKL
Paper
C19 H16 Br Mn N2 O7P 1 21/a 111.7054; 13.9151; 13.3273
90; 110.347; 90
2035.3Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai
Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands
Acta Crystallographica Section E, 2020, 76, 1433-1436
2243532 CIF
HKL
Paper
C27 H20 Br Mn N2 O7P 1 21/c 18.8953; 12.0086; 23.79
90; 95.794; 90
2528.3Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai
Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands
Acta Crystallographica Section E, 2020, 76, 1433-1436
2243533 CIF
HKL
Paper
C13 H12 Cl F3 N2 O3P b c a18.0904; 7.8971; 19.8043
90; 90; 90
2829.28Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.
[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis
Acta Crystallographica Section E, 2020, 76, 1442-1446
2243534 CIF
HKL
Paper
C13 H17 Fe NP 1 21/n 15.6777; 23.0873; 8.7206
90; 90.59; 90
1143.06Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten
Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane
Acta Crystallographica Section E, 2020, 76, 1437-1441
2243535 CIF
HKL
Paper
C28 H38 Fe2 N2 SiP 21 21 2112.0132; 14.0683; 15.7169
90; 90; 90
2656.2Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten
Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane
Acta Crystallographica Section E, 2020, 76, 1437-1441
2243536 CIF
Paper
C14 H12 Cl N O2P 1 21/c 14.8283; 32.0832; 8.0221
90; 104.936; 90
1200.7Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.
Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies
Acta Crystallographica Section E, 2020, 76, 1421-1426
2243537 CIF
Paper
C14 H12 Cl N O2P 1 21/n 13.84618; 21.9502; 14.1764
90; 94.235; 90
1193.57Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.
Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies
Acta Crystallographica Section E, 2020, 76, 1421-1426
2243538 CIF
HKL
Paper
C119.25 H104.26 Al6 Gd N20.25 O30P -113.7267; 16.0458; 28.2591
80.675; 84.459; 71.757
5826.3Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes
Acta Crystallographica Section E, 2020, 76, 1458-1466
2243539 CIF
HKL
C119.6 H104.6 Al6 Dy N20.32 O30P -113.7232; 16.0871; 28.2946
80.632; 83.989; 71.66
5840.6Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes
Acta Crystallographica Section E, 2020, 76, 1458-1466
2243540 CIF
HKL
C119.02 H104.02 Al6 N20.2 O30 YbP -113.7254; 16.0597; 28.2523
80.5334; 83.7992; 72.0307
5832.2Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes
Acta Crystallographica Section E, 2020, 76, 1458-1466
2243541 CIF
HKL
Paper
C27 H24 N2 O5P 1 21/c 117.021; 16.519; 8.079
90; 97.552; 90
2251.9Wodajo, Ayalew T.; Tran, Thi Thanh Van; Truong, Hong Hieu; Tskhovrebov, Alexander G.; Le, The Duan; Khrustalev, Victor N.; Le, Tuan Anh
Synthesis by deamination reaction and crystal structure at 120K of (16<i>Z</i>,19<i>E</i>)-18-oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide
Acta Crystallographica Section E, 2020, 76, 1454-1457
2243542 CIF
HKL
Paper
C44 H46 N3 O2 YP 1 21/c 115.3539; 12.5259; 20.2511
90; 107.207; 90
3720.4Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
Acta Crystallographica Section E, 2020, 76, 1447-1453
2243543 CIF
HKL
Paper
C44 H46 Er N3 O2P 1 21/n 112.0946; 19.1086; 16.3609
90; 91.3697; 90
3780.1Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
Acta Crystallographica Section E, 2020, 76, 1447-1453
2243544 CIF
HKL
Paper
C72 H60 N6 Y2P 1 21/c 19.2776; 22.5591; 13.4791
90; 91.4966; 90
2820.1Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
Acta Crystallographica Section E, 2020, 76, 1447-1453
2243545 CIF
HKL
Paper
C72 H60 Dy2 N6P 1 21/c 19.3068; 22.475; 13.513
90; 91.266; 90
2825.8Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
Acta Crystallographica Section E, 2020, 76, 1447-1453
2243546 CIF
HKL
Paper
C108 H92 Er4 N8 O2P -112.8857; 13.6846; 13.7411
61.3447; 82.7796; 83.0804
2104.4Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
Acta Crystallographica Section E, 2020, 76, 1447-1453
2243547 CIF
HKL
Paper
C8 H16 Co N6 S4C 1 2/c 116.807; 14.4212; 15.5669
90; 118.744; 90
3308.1Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian
Crystal structure of bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Acta Crystallographica Section E, 2020, 76, 1476-1481
2243548 CIF
HKL
Paper
C16 H22 Br2 N2 OP 1 21/n 17.6402; 13.7578; 16.7691
90; 101.162; 90
1729.3Behrman, Edward J.; Hansen, Alexandar L.; Yuan, Chunhua; Parkin, Sean
4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate
Acta Crystallographica Section E, 2020, 76, 1467-1471
2243549 CIF
HKL
Paper
C16 H16 N2 O2C 1 2/c 124.798; 4.7133; 11.533
90; 106.751; 90
1290.8Çınar, Emine Berrin; Yeşilbağ, Semanur; Doğan, Onur Erman; Ağar, Erbil; Dege, Necmi; Saif, Eiad
Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine
Acta Crystallographica Section E, 2020, 76, 1472-1475
2243550 CIF
HKL
Paper
C80 H106 Cl12 Cu9 N20 O6P -112.9974; 13.9305; 14.7162
106.143; 93.254; 99.819
2506.6Dodds, Christopher A.; Kennedy, Alan R.
Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride
Acta Crystallographica Section E, 2020, 76, 1486-1490
2243551 CIF
HKL
Paper
O3 P TlP 1 21/n 112.2315; 4.2432; 6.3039
90; 96.727; 90
324.92Weil, Matthias
TlPO~3~ and its comparison with isotypic RbPO~3~ and CsPO~3~
Acta Crystallographica Section E, 2020, 76, 1482-1485
2243552 CIF
HKL
Paper
C17 H13 N OP 1 21/c 17.2986; 5.8504; 29.7783
90; 94.525; 90
1267.56Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.
Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone
Acta Crystallographica Section E, 2020, 76, 1496-1502
2243553 CIF
HKL
C16 H13 Br OP -15.9282; 7.3614; 14.6747
88.532; 82.199; 87.457
633.73Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.
Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone
Acta Crystallographica Section E, 2020, 76, 1496-1502
2243554 CIF
HKL
Paper
Ag1.64 Fe1.36 O12 P3 Zn1.64C 1 2/c 111.8151; 12.6367; 6.4056
90; 113.431; 90
877.52Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Synthesis, crystal structure determination of a novel phosphate Ag~1.64~Zn~1.64~Fe~1.36~(PO~4~)~3~ with an alluaudite-like structure
Acta Crystallographica Section E, 2020, 76, 1491-1495
2243555 CIF
HKL
Paper
C14 H25 Cl2 Cu2 N5 O2P -19.0732; 10.746; 11.5578
92.373; 102.383; 112.703
1005.71Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M.
Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)
Acta Crystallographica Section E, 2020, 76, 1503-1507
2243556 CIF
HKL
C12 H17 Cu N O6P 21 21 217.0614; 11.0738; 17.6541
90; 90; 90
1380.49Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan; Haraguchi, Tomoyuki; Akitsu, Takashiro
Crystal structure and Hirshfeld surface analysis of (aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)
Acta Crystallographica Section E, 2020, 76, 1539-1542
2243557 CIF
HKL
Paper
C3 H5 Na O2P 1 21/a 17.1048; 5.3003; 11.9035
90; 111.225; 90
417.85Fábry, Jan; Samolová, Erika
Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^
Acta Crystallographica Section E, 2020, 76, 1508-1513
2243558 CIF
HKL
Paper
C3 H5 K O2P 1 21/m 13.907; 5.7872; 11.317
90; 94.03; 90
255.25Fábry, Jan; Samolová, Erika
Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^
Acta Crystallographica Section E, 2020, 76, 1508-1513
2243559 CIF
HKL
Paper
C3 H5 O2 RbP -14.1538; 6.0008; 11.182
80.038; 81.465; 88.987
271.47Fábry, Jan; Samolová, Erika
Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^
Acta Crystallographica Section E, 2020, 76, 1508-1513
2243560 CIF
HKL
Paper
C3 H5 Cs O2P 21 21 214.4242; 6.2866; 21.4422
90; 90; 90
596.38Fábry, Jan; Samolová, Erika
Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^
Acta Crystallographica Section E, 2020, 76, 1508-1513
2243561 CIF
HKL
Paper
C28 H50 Cl6 N4 O4 Pd2 S2 Te2P -19.6333; 12.77; 17.956
73.82; 83.55; 88.86
2107.8Gupta, Anand; Deka, Rajesh; Butcher, Ray J.; Singh, Harkesh B.
Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(μ-O)]~2~}^2+^, with the trichlorido(dimethyl sulfoxide)platinum(II) anion
Acta Crystallographica Section E, 2020, 76, 1520-1524
2243562 CIF
HKL
Paper
C11 H13 N5 SP 1 21/n 17.9047; 12.138; 13.959
90; 94.67; 90
1334.9Renugadevi, M.; Sinthiya, A.; Poomani, Kumaradhas; Suresh, Suganya
Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate‒4-aminopyridine (1/1)
Acta Crystallographica Section E, 2020, 76, 1535-1538
2243563 CIF
HKL
Paper
C13 H18 O3 SiP 1 21/n 17.9801; 12.2381; 13.3712
90; 90.134; 90
1305.84Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten
Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
Acta Crystallographica Section E, 2020, 76, 1514-1519
2243564 CIF
HKL
C13 H18 O3 SiP 1 21/n 17.9801; 12.2381; 13.3712
90; 90.134; 90
1305.84Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten
Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
Acta Crystallographica Section E, 2020, 76, 1514-1519
2243565 CIF
HKL
C18 H20 O3 SiP 1 21/c 19.4936; 8.6802; 19.747
90; 99.743; 90
1603.8Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten
Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
Acta Crystallographica Section E, 2020, 76, 1514-1519
2243566 CIF
HKL
C18 H20 O3 SiP 1 21/c 19.4936; 8.6802; 19.747
90; 99.743; 90
1603.8Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten
Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
Acta Crystallographica Section E, 2020, 76, 1514-1519
2243567 CIF
HKL
Paper
C24 H32 N2 O9P 21 21 219.9759; 10.6052; 22.8535
90; 90; 90
2417.82Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon
Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline
Acta Crystallographica Section E, 2020, 76, 1528-1534
2243568 CIF
HKL
Paper
C24 H30 N2 O8P 21 21 219.8293; 10.4915; 22.9863
90; 90; 90
2370.44Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon
Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline
Acta Crystallographica Section E, 2020, 76, 1528-1534
2243569 CIF
HKL
Paper
C86 H60 Cl6 Fe O8 P4P 43 21 211.985; 11.985; 52.4508
90; 90; 90
7534Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.
Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate
Acta Crystallographica Section E, 2020, 76, 1525-1527
2243570 CIF
HKL
Paper
C15 H14 N2 O3P b c a7.3925; 15.4082; 23.575
90; 90; 90
2685.31Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol
Acta Crystallographica Section E, 2020, 76, 1551-1556
2243571 CIF
HKL
Paper
C14 H12 I N OP 21 21 218.173; 11.8143; 13.1721
90; 90; 90
1271.88Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol
Acta Crystallographica Section E, 2020, 76, 1595-1598
2243572 CIF
HKL
Paper
C26 H22 Fe N8P -15.7905; 9.7461; 10.172
82.064; 84.754; 77.739
554.44Pokharel, Uttam R.; Naquin, Aaron P.; Brochon, Connor P.; Fronczek, Frank R.
Synthesis and crystal structure of 1,1'-bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene, and its complexation with Cu^I^
Acta Crystallographica Section E, 2020, 76, 1582-1586
2243573 CIF
HKL
Paper
C17 H16 N2 O SP 1 21/c 117.251; 5.6849; 17.3101
90; 116.958; 90
1513.14Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.; Dege, Necmi
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-(4-propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine
Acta Crystallographica Section E, 2020, 76, 1591-1594
2243574 CIF
HKL
Paper
C15 H11 N O3P 1 21/c 114.7856; 15.9841; 10.3188
90; 99.21; 90
2407.2Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.
Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone
Acta Crystallographica Section E, 2020, 76, 1599-1604
2243575 CIF
HKL
Paper
C17 H16 N2 O3P 1 21/c 117.3171; 7.0708; 11.3487
90; 90.761; 90
1389.48Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.
Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone
Acta Crystallographica Section E, 2020, 76, 1599-1604
2243576 CIF
HKL
Paper
C17 H16 N2 O3P 1 21/n 17.7552; 15.6998; 12.0525
90; 100.668; 90
1442.09Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.
Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone
Acta Crystallographica Section E, 2020, 76, 1599-1604
2243577 CIF
HKL
Paper
C34 H30 N2 O3P 1 21/c 19.5632; 17.8067; 16.1958
90; 103.463; 90
2682.18Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan
Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one
Acta Crystallographica Section E, 2020, 76, 1548-1550
2243578 CIF
Paper
C13 H34 Br6 Cl2 N2 UP 1 21/n 110.7318; 17.4541; 15.0082
90; 92.055; 90
2809.44Deubner, Holger Lars; Koester, Marcel; von Haenisch, Carsten; Kraus, Florian
Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate
Acta Crystallographica Section E, 2020, 76, 1587-1590
2243579 CIF
HKL
C53 H36 Cl2 N2 O2P 1 21/c 113.307; 9.1782; 32.2298
90; 100.251; 90
3873.5Wodajo, Ayalew; Tskhovrebov, Alexander G.; Le, Tuan Anh; Kubasov, Alexey S.; Grishina, Maria M.; Krutius, Oleg N.; Khrustalev, Victor N.
Crystal structure of 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate
Acta Crystallographica Section E, 2020, 76, 1579-1581
2243580 CIF
Paper
C6 H7 K2.108 O8 Rb0.892P 1 21/n 17.2407; 11.8145; 13.062
90; 98.334; 90
1105.6Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243581 CIFC6 H7 K2 O8 RbP 1 21/n 17.2407; 11.8185; 13.0617
90; 98.334; 90
1105.94Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243582 CIFC6 H7 K2 O8 RbP 1 21/n 17.2407; 11.81851; 13.06177
90; 98.334; 90
1105.95Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243583 CIFC6 H7 K2 O8 RbP 1 21/n 17.2407; 11.81851; 13.06177
90; 98.334; 90
1105.95Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243584 CIFC6 H7 K1.37 O8 Rb1.63P 1 21/n 17.3507; 11.8468; 13.2275
90; 98.109; 90
1140.36Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243585 CIFC6 H7 K O8 Rb2P 1 21/n 17.350692; 11.846841; 13.227547
90; 98.1091; 90
1140.37Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243586 CIFC6 H7 K O8 Rb2P 1 21/n 17.350692; 11.846841; 13.227549
90; 98.1091; 90
1140.37Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243587 CIFC6 H7 K O8 Rb2P 1 21/n 17.350692; 11.846841; 13.227549
90; 98.1091; 90
1140.37Cigler, Andrew J.; Kaduk, James A.
Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations
Acta Crystallographica Section E, 2020, 76, 1566-1571
2243588 CIF
HKL
Paper
C4 H4 Cl2 N2 O3C 1 2/c 119.9042; 6.6243; 10.5636
90; 90.819; 90
1392.68Novikov, Anton P.; Ryagin, Sergey N.; Grigoriev, Mikhail S.; Safonov, Alexey V.; German, Konstantin E.
5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO~4~)~2~ as a new catalyst
Acta Crystallographica Section E, 2020, 76, 1557-1561
2243589 CIF
HKL
Paper
C20 H26 Cl2 O4 TiC 1 2/c 129.3802; 10.8106; 13.6002
90; 91.214; 90
4318.7McCarthy, Jackson S.; McMillen, Colin D.; Pienkos, Jared A.; Wagenknecht, Paul S.
Synthesis and characterization of a <i>tert-</i>butyl ester-substituted titanocene dichloride: ^<i>t^-BuOOC</i>Cp~2~TiCl~2~
Acta Crystallographica Section E, 2020, 76, 1562-1565
2243590 CIF
HKL
Paper
I O Tl3P 63/m m c7.1512; 7.1512; 6.3639
90; 90; 120
281.85Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael
Hydroflux synthesis and crystal structure of Tl~3~IO
Acta Crystallographica Section E, 2020, 76, 1638-1640
2243591 CIF
HKL
C6 H11 N7 O3P 1 21/c 14.6928; 9.3881; 22.918
90; 91.646; 90
1009.3Sigdel Regmi, Bhawani; Apblett, Allen; Powell, Douglas
Crystal structure of melaminium cyanoacetate monohydrate
Acta Crystallographica Section E, 2020, 76, 1645-1648
2243592 CIF
HKL
Paper
C22 H45 Br2 Cu3 N6 O7.5I 1 2/a 114.493; 8.8855; 26.6017
90; 103.998; 90
3324Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.
Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate
Acta Crystallographica Section E, 2020, 76, 1641-1644
2243593 CIF
HKL
Paper
Hf1.5 K2 Ni0.5 O12 P3P 21 310.12201; 10.12201; 10.12201
90; 90; 90
1037.05Zhou, Liang; Butenko, Denys S.; Ogorodnyk, Ivan V.; Klyui, Nickolai I.; Zatovsky, Igor V.
Rietveld refinement of the langbeinite-type phosphate K~2~Ni~0.5~Hf~1.5~(PO~4~)~3~
Acta Crystallographica Section E, 2020, 76, 1634-1637
2243594 CIF
HKL
Paper
C32 H27 Cl N8 O12P 1 21/n 17.4102; 24.629; 18.446
90; 98.478; 90
3329.7Shaibah, Mohammed A. E.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
A very short O—H···O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)
Acta Crystallographica Section E, 2020, 76, 1629-1633
2243595 CIF
HKL
Paper
C48 H33 NP -110.0952; 13.0135; 13.5643
74.429; 75.671; 78.309
1645.39Yano, Masafumi; Kashiwagi, Yukiyasu; Inada, Yoshinori; Hayashi, Yuki; Mitsudo, Koichi; Kubono, Koji
Crystal structure of tris[4-(naphthalen-1-yl)phenyl]amine
Acta Crystallographica Section E, 2020, 76, 1649-1652
2243596 CIF
HKL
Paper
C10 H8 Cl N O5 SP 1 21/n 111.153; 6.8926; 14.6
90; 97.528; 90
1112.7Shishkina, Svitlana V.; Petrushova, Lidiya A.; Burian, Kateryna O.; Fedosov, Andrii I.; Ukrainets, Igor V.
Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2020, 76, 1657-1660
2243597 CIF
HKL
Paper
C9 H15 N3 O5P 1 21 15.7615; 9.7752; 10.6833
90; 101.255; 90
590.11Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.
Crystal structure of 6-azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranose
Acta Crystallographica Section E, 2020, 76, 1653-1656
2243598 CIF
HKL
Paper
C8 H16 K2 O5C 1 2/c 111.919; 4.5454; 24.3172
90; 97.517; 90
1306.1Fábry, Jan; Samolová, Erika
Crystal structure of poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')dipotassium]
Acta Crystallographica Section E, 2020, 76, 1669-1674
2243599 CIF
HKL
Paper
C27 H28 Fe N10 S2P -18.9656; 12.506; 14.2311
67.552; 85.106; 84.087
1465.06Znovjyak, Kateryna; Seredyuk, Maksym; Malinkin, Sergey O.; Shova, Sergiu; Soliev, Lutfullo
Crystal structure of {<i>N</i>^1^,<i>N</i>^3^-bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)
Acta Crystallographica Section E, 2020, 76, 1661-1664
2243600 CIF
HKL
Paper
C8 H24 Ca O9P b c a6.6662; 19.5903; 23.4286
90; 90; 90
3059.61Samolová, Erika; Fábry, Jan
Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
Acta Crystallographica Section E, 2020, 76, 1684-1688
2243601 CIF
HKL
Paper
C8 H24 O9 SrC m c e6.8801; 19.752; 23.2734
90; 90; 90
3162.8Samolová, Erika; Fábry, Jan
Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
Acta Crystallographica Section E, 2020, 76, 1684-1688
2243602 CIF
HKL
Paper
C8 H24 Ca0.794 O9 Sr0.206P b c a6.7153; 19.6061; 23.3498
90; 90; 90
3074.3Samolová, Erika; Fábry, Jan
Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
Acta Crystallographica Section E, 2020, 76, 1684-1688
2243603 CIF
Paper
C52 H60.5 N6 O10.25C 1 2 127.505; 12.3814; 14.6346
90; 99.999; 90
4908.1Nguyen, Xuan Tu; Le, Thuy Quynh; Bui Thi, Tra My; Mac, Dinh Hung; Bui, Thai Thanh Thu
Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C~52~H~60~N~6~O~10~·0.25H~2~O
Acta Crystallographica Section E, 2020, 76, 1675-1678
2243604 CIF
HKL
Paper
C35 H53 N5 O2P 1 21/c 113.2239; 15.3576; 17.1061
90; 107.029; 90
3321.7Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika
Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol
Acta Crystallographica Section E, 2020, 76, 1679-1683
2243605 CIF
HKL
Paper
C36 H55 N5 O2P -112.1169; 13.238; 13.6258
68.373; 79.379; 67.392
1873.32Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika
Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol
Acta Crystallographica Section E, 2020, 76, 1679-1683
2243606 CIF
HKL
Paper
C10 H20 N2 O8 P2 ZnP 1 21/n 18.8455; 16.4492; 11.2721
90; 97.338; 90
1626.67Soriano, Josemaria S.; Galeas, Bryan E.; Garrett, Paul; Flores, Ryan A.; Pinedo, Juan L.; Kohlgruber, Tsuyoshi A.; Felton, Daniel; Adelani, Pius O.
<i>In situ</i> decarbonylation of <i>N</i>,<i>N</i>-dimethylformamide to form dimethylammonium cations in the hybrid framework compound {[(CH~3~)~2~NH~2~]~2~[Zn{O~3~PC~6~H~2~(OH)~2~PO~3~}]}~<i>n~</i>
Acta Crystallographica Section E, 2019, 75, 1540-1543
2243607 CIF
HKL
Paper
C24 H10 N4 S3P 1 21/n 114.2567; 39.028; 15.2295
90; 100.136; 90
8341.6Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.
Crystal structures of two charge‒transfer complexes of benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene (<i>D</i>~3<i>h~</i>-BTT)
Acta Crystallographica Section E, 2019, 75, 1573-1577
2243608 CIF
HKL
Paper
C79 H14 S3P 1 21 110.0139; 17.4327; 13.0286
90; 108.816; 90
2152.8Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.
Crystal structures of two charge‒transfer complexes of benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene (<i>D</i>~3<i>h~</i>-BTT)
Acta Crystallographica Section E, 2019, 75, 1573-1577
2243609 CIF
HKL
Paper
C26 H22 Cd N8 O6C 1 2/c 114.6899; 15.025; 12.2269
90; 106.843; 90
2582.9Kim, Yongtae; Kang, Sung Kwon
Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]bis(nitrato-κ<i>O</i>)cadmium(II)
Acta Crystallographica Section E, 2019, 75, 1463-1466
2243610 CIF
HKL
Paper
C67 H54 N4 O5 ZnP 1 21/c 127.2823; 19.7693; 9.9674
90; 94.614; 90
5358.5Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki
Crystal structure of <i>catena</i>-poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'] tetrahydrofuran monosolvate]
Acta Crystallographica Section E, 2019, 75, 1432-1435
2243611 CIF
HKL
Paper
Ba Cu2.6 Zn2.4P n m a12.9858; 5.2162; 6.6804
90; 90; 90
452.507Simura, Rayko; Yamane, Hisanori
α-SrZn~5~-Type solid solution, BaZn~2.6~Cu~2.4~
Acta Crystallographica Section E, 2019, 75, 1490-1493
2243612 CIF
HKL
Paper
F6 H10 N4 SiP 1 21/n 15.9496; 5.2484; 11.0029
90; 100.245; 90
338.1Ouasri, Ali; Lambarki, Fatima; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N~2~H~5~)~2~SiF~6~
Acta Crystallographica Section E, 2019, 75, 1507-1510
2243613 CIF
HKL
C17 H24 N4 O5 Pt S2P -16.5264; 8.9024; 18.9261
82.228; 87.074; 74.739
1050.96Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook
The crystal structure of ((cyclohexylamino){(<i>Z</i>)-2-[(<i>E</i>)-5-methoxy-3-nitro-2-oxidobenzylidene-κ<i>O</i>]hydrazin-1-ylidene-κ<i>N</i>^2^}methanethiolato-κ<i>S</i>)(dimethyl sulfoxide-κ<i>S</i>)platinum(II): a supramolecular two-dimensional network
Acta Crystallographica Section E, 2019, 75, 1486-1489
2243614 CIF
HKL
Paper
C20 H25 Br N4 O SP 1 21/c 18.4326; 31.778; 8.468
90; 110.052; 90
2131.6Duruskari, Gulnara Sh.; Khalilov, Ali N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Acta Crystallographica Section E, 2020, 76, 1694-1698
2243615 CIF
HKL
Paper
C40 H56 Mn4 N4 Ni O25P -110.3647; 10.7781; 11.8303
85.318; 86.231; 77.583
1284.79Hall, Abigail J.; Zeller, Matthias; Zaleski, Curtis M.
Synthesis and crystal structure of a heterobimetallic nickel‒manganese 12-metallacrown-4 methanol disolvate monohydrate compound
Acta Crystallographica Section E, 2020, 76, 1720-1724
2243616 CIF
HKL
Paper
Al0.4 Ba1.8 Ce0.2 Lu2 N13.8 O0.2 Si7.6P 63 m c6.0378; 6.0378; 9.8133
90; 90; 120
309.82Simura, Rayko; Yamane, Hisanori
Lu-atom-ordered oxonitridoaluminosilicate Ba~0.9~Ce~0.1~LuAl~0.2~Si~3.8~N~6.9~O~0.1~
Acta Crystallographica Section E, 2020, 76, 1708-1711
2243617 CIF
HKL
Paper
C20 H32 Cu2 N6 S4P 1 21/c 113.9881; 9.822; 9.7446
90; 91.391; 90
1338.43Tanaka, Takeshi; Kashiwagi, Yukiyasu; Nakagawa, Masami
Crystal structure of bis[μ-<i>N</i>-(η^2^-prop-2-en-1-yl)piperidine-1-carbothioamide-κ^2^<i>S</i>:<i>S</i>]bis[(thiocyanato-κ<i>N</i>)copper(I)]
Acta Crystallographica Section E, 2020, 76, 1712-1715
2243618 CIF
HKL
Paper
Cl3 Mg TlP 63/m m c7.0228; 7.0228; 17.4934
90; 90; 120
747.18Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico
The crystal structure of TlMgCl~3~ from 290K to 725K
Acta Crystallographica Section E, 2020, 76, 1716-1719
2243619 CIF
HKL
Paper
C15 H19 N O3F d d 231.9834; 27.7358; 6.661
90; 90; 90
5908.9Koizumi, Take-aki; Takata, Toshikazu
Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate
Acta Crystallographica Section E, 2020, 76, 1737-1740
2243620 CIF
HKL
Paper
C17 H16 Au N7 O4P 1 21/c 17.0788; 24.6279; 10.584
90; 91.059; 90
1844.9Levchenko, Volodymyr; Øien-Ødegaard, Sigurd; Wragg, David; Tilset, Mats
Crystal structure of (N^C) cyclometalated Au^III^ diazide at 100K
Acta Crystallographica Section E, 2020, 76, 1725-1727
2243621 CIF
Paper
C13 H11 Cl O3P 1 21/n 18.79348; 27.8665; 10.2288
90; 112.393; 90
2317.49Meesakul, Pornphimol; Richardson, Christopher; Laphookhieo, Surat; Pyne, Stephen G.
Synthesis and crystal structure of (±)-Goniotamirenone C
Acta Crystallographica Section E, 2020, 76, 1728-1731
2243622 CIF
HKL
Paper
C24 H57.53 Cr2 N26 Ni2 O42.76P 1 21/n 19.8065; 16.6719; 37.2296
90; 95.562; 90
6058.1Mbiangué, Yves Alain; Bijvédé, Alfred; Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Lecomte, Claude
Crystal structure of diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)] 6.76-hydrate
Acta Crystallographica Section E, 2020, 76, 1732-1736
2243623 CIF
HKL
Paper
C41 H35 N3P 1 21/c 114.894; 35.155; 5.9513
90; 100.987; 90
3059Dias, H. V. Rasika; Pramanik, Abhijit
Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
Acta Crystallographica Section E, 2020, 76, 1741-1747
2243624 CIF
HKL
C42 H33 N3 Ni OP 1 21/m 16.6482; 27.1709; 9.1322
90; 101.07; 90
1618.92Dias, H. V. Rasika; Pramanik, Abhijit
Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
Acta Crystallographica Section E, 2020, 76, 1741-1747
2243625 CIF
HKL
C41 H36 N4 NiP 1 21/c 115.9773; 14.9441; 14.3238
90; 107.814; 90
3256.1Dias, H. V. Rasika; Pramanik, Abhijit
Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
Acta Crystallographica Section E, 2020, 76, 1741-1747
2243626 CIF
HKL
C49 H50 N4 NiP -111.2735; 14.1802; 14.688
67.162; 68.881; 80.665
2017.9Dias, H. V. Rasika; Pramanik, Abhijit
Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
Acta Crystallographica Section E, 2020, 76, 1741-1747
2243627 CIF
HKL
Paper
C19 H18 O7P -15.0789; 8.0801; 20.8682
92.481; 91.984; 94.253
852.62Aisa, Haji Akber; Izotova, Lidiya; Karimov, Abdurashid; Botirov, Erkin; Mamadrahimov, Azimjon; Ibragimov, Bahtiyar
Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone
Acta Crystallographica Section E, 2020, 76, 1748-1751
2243628 CIF
HKL
Paper
C19 H29 Cl2 Co N7 O S2C 1 2/c 126.3412; 11.427; 8.6226
90; 90.465; 90
2595.32Miecznikowski, John R.; Jasinski, Jerry P.; Ostrowski, Tyler J.; Landy, Kendra R.; Bonitatibus, Sheila C.; Smolinsky, Allison N.; Bertolotti, Natalia R.
Crystal structure and spectroscopic properties of aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)
Acta Crystallographica Section E, 2020, 76, 1757-1761
2243629 CIF
HKL
Paper
C7 H6 F3 N O3P 1 21/c 18.9213; 10.0759; 9.101
90; 99.983; 90
805.7Ye, Naike; Tanski, Joseph M.
The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network
Acta Crystallographica Section E, 2020, 76, 1752-1756
2243630 CIF
HKL
C26 H18 Cu F2 N6 O4C 1 2/c 119.9709; 7.2155; 17.1989
90; 98.579; 90
2450.6de Melo, Ana Paula Lopes; Bresolin, Leandro; Martins, Bianca Barreto; Gervini, Vanessa Carratu; de Oliveira, Adriano Bof
Crystal structure and Hirshfeld analysis of <i>trans</i>-bis(5-fluoroindoline-2,3-dione 3-oximato-κ^2^<i>O</i>^2^,<i>N</i>^3^)-<i>trans</i>-bis(pyridine-κ<i>N</i>)copper(II)
Acta Crystallographica Section E, 2018, 74, 428-432
2243631 CIF
HKL
Paper
C24 H46 Ag N8 O8P -18.346; 9.2874; 10.171
104.32; 90.28; 109.6
716.3Moon, Dohyun; Choi, Jong-Ha
Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^<i>N</i>]silver(II) dinitrate from synchrotron X-ray data
Acta Crystallographica Section E, 2018, 74, 461-464
2243632 CIF
HKL
Paper
C10 H8 Hg I2 N2 O2 S2P 1 21/n 17.4207; 18.7599; 11.6463
90; 100.887; 90
1592.12Seidel, Rüdiger W.; Oppel, Iris M.
Crystal structure of <i>catena</i>-poly[[diiodidomercury(II)]-μ-2,2'-dithiobis(pyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2018, 74, 433-435
2243633 CIF
HKL
Paper
C11 H12 Cl Mn N5 O4P -16.9698; 10.6055; 10.8476
98.784; 97.636; 108.308
738.21Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Barry, Aliou Hamady; Gaye, Mohamed; Retailleau, Pascal
Crystal structure of aquachlorido(nitrato-κ^2^<i>O</i>,<i>O</i>')[1-(pyridin-2-yl-κ<i>N</i>)-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazine-κ<i>N</i>^2^]manganase(II)
Acta Crystallographica Section E, 2018, 74, 450-453
2243634 CIF
HKL
C41 H75 Al O2 Si2 ZrP 1 21/n 111.5404; 16.5073; 22.9519
90; 95.0206; 90
4355.58Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe; Beweries, Torsten; Shur, Vladimir B.
Synthesis and crystallographic characterization of [2,2-bis(η^5^-pentamethylcyclopentadienyl)-3,4-bis(trimethylsilyl)-2-zirconafuran-5-one-κ<i>O</i>^5^]triisobutylaluminium
Acta Crystallographica Section E, 2018, 74, 566-568
2243635 CIF
HKL
Paper
C26 H39 Cl3 N5 O8 TbP -18.9703; 12.6433; 14.4233
87.004; 88.752; 81.98
1617.4Kachi-Terajima, Chihiro; Kimura, Norihisa
Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)
Acta Crystallographica Section E, 2018, 74, 535-538
2243636 CIF
HKL
Paper
C26 H39 Cl3 Dy N5 O8P -18.9852; 12.6242; 14.3887
87.062; 88.81; 82.068
1614.2Kachi-Terajima, Chihiro; Kimura, Norihisa
Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)
Acta Crystallographica Section E, 2018, 74, 535-538
2243637 CIF
HKL
Paper
C16 H32 I2 N2 O8 SnP 1 21/c 19.8129; 18.3694; 14.7122
90; 99.769; 90
2613.5Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Rousselin, Yoann
Crystal structure of bis(diisopropylammonium) <i>cis</i>-diiodidobis(oxolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)
Acta Crystallographica Section E, 2018, 74, 502-504
2243638 CIF
HKL
Paper
C116 H200 Lu2 O24 P6P -114.8828; 19.983; 22.392
80.469; 87.417; 74.798
6337.7Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Crystal structure and catalytic activity of tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')dilutetium <i>n</i>-heptane disolvate
Acta Crystallographica Section E, 2018, 74, 543-547
2243639 CIF
HKL
Paper
C25 H29 Br N2 Ni OP 1 21/c 19.7626; 10.9008; 22.0679
90; 98.0315; 90
2325.43O'Brien, Patrick; Zeller, Matthias; Lee, Wei-Tsung
Crystal structure of (2-{[(8-aminonaphthalen-1-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)bromidonickel(II)
Acta Crystallographica Section E, 2018, 74, 469-473
2243640 CIF
HKL
Paper
C13 H18 Cl2 Cu N2 OC 1 2/c 114.4554; 8.5865; 24.8055
90; 99.209; 90
3039.21Reddy, J. Prakasha
Crystal structure and Hirshfeld surface analysis of dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)
Acta Crystallographica Section E, 2020, 76, 1771-1774
2243641 CIF
HKL
Paper
C26 H24 Au2 Br2 P2 S2C 1 2/c 121.4112; 11.9708; 13.7726
90; 128.316; 90
2769.7Taouss, Christina; Calvo, Marina; Jones, Peter G.
Crystal structure of the unusual coordination polymer <i>catena</i>-poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]
Acta Crystallographica Section E, 2020, 76, 1768-1770
2243642 CIF
HKL
Paper
C21 H17 N3 O5P 1 21 17.2948; 7.1242; 16.8297
90; 97.644; 90
866.86Moreno-Fuquen, Rodolfo; Hurtado-Angulo, Mario; Arango-Daraviña, Kevin; Bain, Gavin; Kennedy, Alan R.
Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and molecular docking of <i>N</i>-{3-[(4-methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide as a promising inhibitor of hfXa
Acta Crystallographica Section E, 2020, 76, 1762-1767
2243643 CIF
HKL
Paper
C24 H20 N10 NiP -17.1046; 9.1467; 9.3833
100.182; 98.729; 97.444
585.49Setifi, Zouaoui; Ferjani, Hela; Setifi, Fatima; Ezzine, Safa; Al-Douh, Mohammed Hadi
Synthesis, crystal structure and Hirshfeld surface analysis of bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)
Acta Crystallographica Section E, 2020, 76, 1794-1798
2243644 CIF
HKL
Paper
C18 H21 Cl N2 O3P -17.401; 7.888; 15.41
100.28; 94.4; 94.14
879.2Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243645 CIF
HKL
Paper
C18 H21 Br N2 O3P -17.4313; 7.9163; 15.5212
101.565; 94.78; 92.691
889.54Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243646 CIF
HKL
Paper
C18 H21 I N2 O3P -17.1129; 11.2722; 12.5923
69.852; 74.681; 79.121
908.82Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243647 CIF
HKL
Paper
C18 H21 F N2 O3C 1 c 119.94; 10.2705; 9.0148
90; 109.663; 90
1738.5Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243648 CIF
HKL
Paper
C18 H21 Cl N2 O3P 1 21/c 17.9974; 27.611; 8.5972
90; 106.4; 90
1821.2Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243649 CIF
HKL
Paper
C18 H21 Br N2 O3P 21 21 216.9824; 13.2292; 19.4903
90; 90; 90
1800.35Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243650 CIF
HKL
Paper
C18 H21 I N2 O3P 21 21 217.0101; 13.3796; 19.5524
90; 90; 90
1833.87Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243651 CIF
HKL
Paper
C19 H24 N2 O3P -17.826; 10.32; 12.055
78.37; 78.27; 73.83
904.6Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243652 CIF
HKL
Paper
C18 H23 N3 O3P 1 21/c 114.922; 7.6951; 15.56
90; 106.911; 90
1709.4Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243653 CIF
HKL
Paper
C18 H21 N3 O5P 1 21/c 17.5174; 7.9761; 29.86
90; 97.322; 90
1775.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243654 CIF
HKL
Paper
C18 H24 N4 O9P -17.8448; 11.4635; 12.0747
94.406; 105.075; 93.717
1041.33Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243655 CIF
HKL
Paper
C17 H19 N5 O8P -19.4151; 9.8721; 10.9572
77.524; 81.36; 81.002
974.97Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243656 CIF
HKL
Paper
C15 H20 N2 O5P -111.1076; 11.1164; 13.7649
80.353; 78.353; 74.406
1591.76Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243657 CIF
HKL
Paper
C15 H20 N2 O5P -17.8546; 8.9626; 11.2056
79.043; 87.715; 85.84
772.15Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243658 CIF
HKL
Paper
C15 H25.4 N2 O8.7P 1 21 17.479; 7.065; 17.788
90; 101.58; 90
920.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 1779-1793
2243659 CIF
HKL
Paper
C7 H4 Cl F O2P n a 2114.273; 12.7102; 3.7154
90; 90; 90
674.02Triggs, Christopher T.; Tanski, Joseph M.
Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde
Acta Crystallographica Section E, 2020, 76, 1810-1812
2243660 CIF
HKL
C9 H8 Br N O3P 1 21/n 118.623; 4.8255; 23.195
90; 112.96; 90
1919.3Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.
Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate
Acta Crystallographica Section E, 2020, 76, 1805-1809
2243661 CIF
HKL
C9 H8 N2 O5P -17.1238; 7.3683; 10.063
107.82; 94.95; 96.32
495.8Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.
Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate
Acta Crystallographica Section E, 2020, 76, 1805-1809
2243662 CIF
HKL
C9 H12 N2 O4P 1 21/n 18.2431; 4.8088; 26.754
90; 90.1; 90
1060.5Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.
Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate
Acta Crystallographica Section E, 2020, 76, 1805-1809
2243663 CIF
HKL
Paper
C12 H16 Cl6 N4 SnP 1 21/n 19.3953; 11.7817; 9.8243
90; 106.547; 90
1042.44Ferjani, Hela
Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)
Acta Crystallographica Section E, 2020, 76, 1624-1628
2243664 CIF
HKL
Paper
Co12 P7P -67.97; 7.97; 3.2034
90; 90; 120
176.22Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew
The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data
Acta Crystallographica Section E, 2020, 76, 1665-1668
2243665 CIF
HKL
Co12 P7P -68.253; 8.253; 3.2902
90; 90; 120
194.1Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew
The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data
Acta Crystallographica Section E, 2020, 76, 1665-1668
2243666 CIF
HKL
Paper
C13 H20 O4P 1 21/c 18.0547; 18.7875; 8.966
90; 102.53; 90
1324.49Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.
Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation
Acta Crystallographica Section E, 2020, 76, 1617-1623
2243667 CIF
HKL
Paper
C18 H21 Br O4P 1 21/n 115.3128; 5.55594; 20.5689
90; 95.7658; 90
1741.09Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.
Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation
Acta Crystallographica Section E, 2020, 76, 1617-1623
2243668 CIF
HKL
Paper
C18 H22 O4P n a 2111.2952; 20.9595; 6.684
90; 90; 90
1582.4Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.
Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation
Acta Crystallographica Section E, 2020, 76, 1617-1623
2243669 CIF
HKL
Paper
C24 H25 Br N2 O5P 1 21/n 113.5644; 20.3405; 17.4818
90; 94.858; 90
4806Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions
Acta Crystallographica Section E, 2020, 76, 1605-1610
2243670 CIF
HKL
Paper
C24 H25 Cl N2 O5P 1 21/n 113.5609; 20.28; 17.728
90; 95.363; 90
4854.1Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions
Acta Crystallographica Section E, 2020, 76, 1605-1610
2243671 CIF
HKL
Paper
C9 H10 O4P 1 21/c 17.7574; 8.4763; 14.3322
90; 97.526; 90
934.3Portalone, Gustavo
Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid
Acta Crystallographica Section E, 2020, 76, 1823-1826
2243672 CIF
HKL
Paper
C23 H27 Cl2 N3 Ni O10 P2P 1 21/c 117.8114; 8.9398; 18.0245
90; 100.524; 90
2821.8Mori, Masatoshi; Suzuki, Takayoshi
Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations
Acta Crystallographica Section E, 2020, 76, 1813-1817
2243673 CIF
HKL
Paper
C24 H27 B2 F8 N3 P2 PtP 1 21/n 17.9102; 21.0833; 16.7519
90; 95.3931; 90
2781.4Mori, Masatoshi; Suzuki, Takayoshi
Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations
Acta Crystallographica Section E, 2020, 76, 1813-1817
2243674 CIF
HKL
Paper
C26 H20 N2 O5P 1 21/c 119.0586; 13.9627; 8.1459
90; 101.78; 90
2122.05Weaver, Matthew J.; Campbell, Michael J.; Li, Chun; Natale, Nicholas R.
Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate: a bicyclic acetal from the rearrangement of an anthracenyl isoxazole
Acta Crystallographica Section E, 2020, 76, 1818-1822
2243675 CIF
HKL
Paper
C22 H33 N3 O4P -19.6579; 11.798; 12.216
100.95; 109.41; 111.12
1146.3Kvyatkovskaya, Elizaveta A.; Atioğlu, Zeliha; Akkurt, Mehmet; Epifanova, Polina P.; Valchuk, Karina S.; Khrustalev, Victor N.; Bhattarai, Ajaya
Crystal structure and Hirshfeld analysis of di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)
Acta Crystallographica Section E, 2020, 76, 1827-1831
2243676 CIF
HKL
Paper
C14 H8 N2 O S2P 1 21/n 115.768; 4.7583; 17.316
90; 101.572; 90
1272.8Khaldi, Hafsa; Djafri, Ahmed; Megrouss, Youcef; Khelloul, Nawel; Chouaih, Abdelkader; Djafri, Ayada
Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 3-(furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione
Acta Crystallographica Section E, 2020, 76, 1832-1836
2243677 CIF
HKL
Paper
C12 H8 B F2 K OP 1 21/c 113.2962; 6.23; 12.9294
90; 97.226; 90
1062.5Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael
Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations
Acta Crystallographica Section E, 2020, 76, 1837-1840
2243678 CIF
HKL
Paper
C78 H65 B2 F4 N3 O2 P2P -110.3527; 13.5958; 23.4352
86.218; 78.916; 87.104
3227.6Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael
Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations
Acta Crystallographica Section E, 2020, 76, 1837-1840
2243679 CIF
HKL
Paper
C12 H24 N6 Ni S4P 1 2/c 110.7245; 6.205; 15.1579
90; 103.14; 90
982.28Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian
Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)
Acta Crystallographica Section E, 2020, 76, 1841-1845
2243680 CIF
HKL
Paper
C28 H34 Cl4 N2 Na2 O11P -19.437; 9.5675; 19.1526
90.331; 99.828; 90.436
1703.79Angel Nieto, Ismael; Bernès, Sylvain; Pérez-Benítez, Aarón
Crystal structure of a new hydrate form of the NSAID sodium diclofenac
Acta Crystallographica Section E, 2020, 76, 1846-1850
2243681 CIF
HKL
Paper
C21 H23 N O4 SP -18.9428; 9.5089; 12.109
100.395; 91.739; 108.97
953.4Temesgen, Ayalew W.; Luong, Minh Duc; Truong, Hong Hieu; Nguyen, Van Tuyen; Dang, Thi Tuyet Anh; Le, Tuan Anh; Tskhovrebov, Alexander G.; Khrustalev, Victor N.
Unexpected synthesis and crystal structure of <i>N</i>-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide
Acta Crystallographica Section E, 2020, 76, 1851-1853
2243682 CIF
HKL
Paper
H10 N3 O14 TmP -16.5782; 9.5213; 10.4848
63.696; 84.656; 76.146
571.51Klein, Wilhelm
Crystal structures of the penta- and hexahydrate of thulium nitrate
Acta Crystallographica Section E, 2020, 76, 1863-1867
2243683 CIF
HKL
Paper
H12 N3 O15 TmP -16.705; 8.9733; 11.4915
70.924; 88.908; 68.923
605.9Klein, Wilhelm
Crystal structures of the penta- and hexahydrate of thulium nitrate
Acta Crystallographica Section E, 2020, 76, 1863-1867
2243684 CIF
HKL
Paper
C12 H10 N2P 1 21/n 17.4591; 5.5045; 11.7803
90; 99.638; 90
476.86Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.
X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers
Acta Crystallographica Section E, 2020, 76, 1859-1862
2243685 CIF
HKL
Paper
C23 H31 B N6 O5P 1 21/c 120.76; 9.5527; 12.045
90; 91.929; 90
2387.3Ayudhya, Theppawut; Raymond, Casey; Dingra, Nin
Synthesis and structure of a 1:1 co-crystal of hexamethylenetetramine carboxyborane and acetaminophen
Acta Crystallographica Section E, 2020, 76, 1854-1858
2243686 CIF
HKL
Paper
K Mo2 O8 TbP b c n5.0826; 18.1273; 7.9875
90; 90; 90
735.92Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243687 CIF
HKL
Paper
Dy K Mo2 O8P b c n5.0776; 18.1214; 7.9428
90; 90; 90
730.84Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243688 CIF
HKL
Paper
Ho K Mo2 O8P b c n5.077; 18.161; 7.934
90; 90; 90
731.5Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243689 CIF
HKL
Paper
Er K Mo2 O8P b c n5.0602; 18.1965; 7.892
90; 90; 90
726.68Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243690 CIF
HKL
Paper
K Mo2 O8 YbP b c n5.0417; 18.3039; 7.8693
90; 90; 90
726.2Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243691 CIF
HKL
Paper
K Lu Mo2 O8P b c n5.0292; 18.2519; 7.8174
90; 90; 90
717.58Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.
Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)
Acta Crystallographica Section E, 2020, 76, 1871-1875
2243692 CIF
HKL
Paper
C18 H19 F N2 O2P 21 21 217.3286; 11.3388; 20.304
90; 90; 90
1687.21Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243693 CIF
HKL
Paper
C18 H19 Cl N2 O2P c a 2129.769; 11.3173; 20.4028
90; 90; 90
6873.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243694 CIF
HKL
Paper
C18 H19 Br N2 O2P c a 2115.0779; 11.2868; 20.5297
90; 90; 90
3493.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243695 CIF
HKL
Paper
C18 H19 I N2 O2P 1 21/c 110.9626; 11.3258; 14.8234
90; 104.52; 90
1781.69Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243696 CIF
HKL
Paper
C18 H19 I N2 O2P 21 21 217.4528; 17.1306; 27.903
90; 90; 90
3562.4Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243697 CIF
HKL
Paper
C18 H19 F N2 O2P 1 21/n 17.451; 11.199; 19.138
90; 99.59; 90
1574.6Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243698 CIF
HKL
Paper
C16 H14 N2 OP 1 21/n 19.2572; 9.0531; 15.0557
90; 99.329; 90
1245.1Al Ati, Gamal; Chkirate, Karim; Mashrai, Ashraf; Mague, Joel T.; Ramli, Youssef; Achour, Redouane; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and DFT study of 1-ethyl-3-phenyl-1,2-dihydroquinoxalin-2-one
Acta Crystallographica Section E, 2021, 77, 18-22
2243699 CIF
HKL
Paper
C19 H14 Cl2 N2 OP 1 21/n 110.1306; 10.7019; 15.7749
90; 97.715; 90
1694.78Daoui, Said; Cinar, Emine Berrin; Dege, Necmi; Chelfi, Tarik; El Kalai, Fouad; Abudunia, Abdulmalik; Karrouchi, Khalid; Benchat, Noureddine
Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 23-27
2243700 CIF
HKL
Paper
C10 H11 N5 O7P -16.6864; 8.1857; 12.649
79.424; 85.583; 75.586
658.78Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243701 CIF
HKL
Paper
C14 H18 N6 O8P 1 21/c 18.541; 14.0507; 7.5137
90; 98.827; 90
891.02Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243702 CIF
HKL
Paper
C3 H6 N4 O3P n a 217.27; 9.907; 8.551
90; 90; 90
615.9Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243703 CIF
HKL
Paper
C20 H21 N3 O7P 1 21/c 16.0686; 19.2791; 16.3795
90; 94.185; 90
1911.2Bouzian, Younos; Baydere, Cemile; Dege, Necmi; Ahabchane, Noureddine Hamou; Mague, Joel T.; Abudunia, Abdulmalik; Karrouchi, Khalid; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
Acta Crystallographica Section E, 2021, 77, 28-33
2243704 CIF
HKL
Paper
C53 H38 Cl8 Cu4 N4 OP -112.7166; 14.4366; 16.4038
105.024; 105.935; 102.999
2650.82Al Balushi, Rayya A.; Khan, Muhammad S.; Faizi, Md. Serajul Haque; Haque, Ashanul; Molloy, Kieran; Raithby, Paul R.
Synthesis and structural characterization of hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis{[4-(phenylethynyl)pyridine-κ<i>N</i>]copper(II)} dichloromethane monosolvate
Acta Crystallographica Section E, 2021, 77, 42-46
2243705 CIF
HKL
Paper
C13 H12 N2 O2P n a 218.284; 8.006; 31.637
90; 90; 90
2098.2Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin
Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one
Acta Crystallographica Section E, 2021, 77, 47-51
2243706 CIF
HKL
Paper
C22 H18 Cl2 N P PdC 1 2/c 113.8153; 15.5676; 18.9683
90; 108.733; 90
3863.4Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi
Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline
Acta Crystallographica Section E, 2021, 77, 52-57
2243707 CIF
HKL
C27 H20 Cl2 N P PdP -19.6582; 9.8765; 13.0748
102.011; 90.426; 109.827
1143.4Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi
Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline
Acta Crystallographica Section E, 2021, 77, 52-57
2243708 CIF
Paper
Al H16 N O15 SP -16.088; 7.377; 13.721
77.34; 89.561; 82.712
596.3Svensson, Fredric G.
Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
Acta Crystallographica Section E, 2021, 77, 58-61
2243709 CIF
Paper
Al Cl H14 O11 SP 1 21/c 16.164; 22.933; 7.2876
90; 97.328; 90
1021.8Svensson, Fredric G.
Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
Acta Crystallographica Section E, 2021, 77, 58-61
2243710 CIF
HKL
Paper
C14 H13 N O2C 1 2/c 124.3559; 10.7032; 8.9667
90; 93.22; 90
2333.8Akduran, Nurcan
Crystal structure of 2-hydroxy-2-phenylacetophenone oxime
Acta Crystallographica Section E, 2021, 77, 66-69
2243711 CIF
HKL
Paper
H6 K2 Mg3 O16 S3C m c 2117.8228; 7.4879; 9.7686
90; 90; 90
1303.7Weil, Matthias
Redetermination of K~2~Mg~3~(OH)~2~(SO~4~)~3~(H~2~O)~2~ from single-crystal X-ray data revealing the correct hydrogen-atom positions
Acta Crystallographica Section E, 2021, 77, 62-65
2243712 CIF
HKL
Paper
C30 H44 Ca N6 O6 S2P -18.6686; 10.519; 18.998
75.488; 76.847; 80.905
1623.7Butcher, Ray J.; Purdy, Andrew P.; Brown, Paul A.; Gunlycke, Daniel
Synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from 1-methylpyrrolidin-2-one
Acta Crystallographica Section E, 2021, 77, 70-74
2243713 CIF
HKL
Paper
C17 H14 O5I 1 2 118.9581; 6.6461; 22.4043
90; 94.163; 90
2815.4Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat
Isolation and crystal structure of lawinal
Acta Crystallographica Section E, 2021, 77, 75-78
2243714 CIF
Paper
C29 H26 N4 O6P -17.8576; 12.3468; 14.1147
94.295; 104.603; 101.042
1289.6Holmberg, Ryne; Franz, Vanessa; Moser, Kristen M.; Solano, Ricardo; Moore, Curtis; Rheingold, Arnold L.; Smith, Gary L. N.
Crystal structure of 2,2'-{[(2-nitrobenzyl)azanediyl]bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]
Acta Crystallographica Section E, 2021, 77, 83-85
2243715 CIF
HKL
Paper
C6 H7 Cl2 N O SnP 1 21/c 111.7934; 9.4895; 8.617
90; 106.455; 90
924.86Henkel, Felix; Reuter, Hans
Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2021, 77, 91-95
2243716 CIF
HKL
C12 H14 Cl2 N2 O2 SnP b c n19.9848; 10.3723; 14.4644
90; 90; 90
2998.3Henkel, Felix; Reuter, Hans
Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2021, 77, 91-95
2243717 CIF
HKL
Paper
C16 H11 N3P 1 21/c 113.5479; 5.0242; 17.3881
90; 101.382; 90
1160.29Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243718 CIF
HKL
C17 H13 N3P 1 21/c 17.5095; 12.1216; 13.5616
90; 92.547; 90
1233.25Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243719 CIF
HKL
C18 H16 I N3P 1 21/n 19.8821; 9.7125; 17.9839
90; 103.676; 90
1677.16Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243720 CIF
HKL
Paper
C20 H19 N O5P -18.81; 9.9182; 11.165
81.205; 70.657; 72.642
877Zaytsev, Vladimir P.; Chervyakova, Lala V.; Sorokina, Elena A.; Vasilyev, Kirill A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of ethyl (4<i>R</i>,4a<i>S</i>)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylate
Acta Crystallographica Section E, 2021, 77, 86-90
2243721 CIF
HKL
Paper
C19 H24 N2 O6P 1 21 17.9555; 13.3696; 9.9708
90; 112.874; 90
977.12Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243722 CIF
HKL
Paper
C20 H24 N2 O6P 1 21 17.9702; 14.1788; 9.8035
90; 113.394; 90
1016.8Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243723 CIF
HKL
Paper
C44 H52 N4 O12C 1 2/c 123.6642; 8.4204; 23.4002
90; 111.614; 90
4334.9Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243724 CIF
HKL
Paper
C20 H20 B2 F4 N4P n m a20.2495; 6.8046; 13.4969
90; 90; 90
1859.73Liu, Xiaoxue; Li, Tuo; Yin, Zhenming
Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]
Acta Crystallographica Section E, 2021, 77, 126-129
2243725 CIF
HKL
Paper
C28 H27 N3 O3 SP 1 21/n 112.0487; 13.9821; 15.0239
90; 106.606; 90
2425.46Al-Taifi, Elham A.; Maraei, Islam S.; Bakhite, Etify A.; Demirtas, Güneş; Mague, Joel. T.; Mohamed, Shaaban K.; Ramli, Youssef
Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hydroxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-<i>N</i>-phenylacetamide
Acta Crystallographica Section E, 2021, 77, 121-125
2243726 CIF
HKL
Paper
C11 H12 N6 O2C 1 2/c 127.7311; 7.1747; 11.7849
90; 94.101; 90
2338.7Heras Martinez, Hector Mario; Chavez Flores, David; Hillesheim, Patrick C.; Patil, Siddappa; Bugarin, Alejandro
Crystal structure and spectroscopic properties of (<i>E</i>)-1,3-dimethyl-2-[3-(4-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole
Acta Crystallographica Section E, 2021, 77, 130-133
2243727 CIF
HKL
Paper
C8 H3 Cl F3 N O4P -14.7297; 7.8993; 13.044
91.57; 96.51; 104.79
467.35Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones
Acta Crystallographica Section E, 2021, 77, 142-147
2243728 CIF
HKL
Paper
C8 H4 Cl F3 N2 O3P 1 21/c 18.3012; 28.23; 9.1522
90; 110.424; 90
2009.9Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones
Acta Crystallographica Section E, 2021, 77, 142-147
2243729 CIF
HKL
Paper
C30 H36 N2 Na2 O10P -18.5404; 9.0144; 21.6217
92.922; 98.873; 113.038
1502.1Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Chuev, Vladimir P.
Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium
Acta Crystallographica Section E, 2021, 77, 134-137
2243730 CIF
HKL
Paper
C12 H9 N3 O4 SP 21 21 217.1335; 11.7297; 15.4593
90; 90; 90
1293.54Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdoğan; Arslanhan, Ali; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline
Acta Crystallographica Section E, 2021, 77, 138-141
2243731 CIF
HKL
Paper
C26 H22 Cd N8 O4A e a 212.6654; 17.6394; 10.888
90; 90; 90
2432.49Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan
Crystal structure of bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)
Acta Crystallographica Section E, 2021, 77, 153-157
2243732 CIF
HKL
Paper
C24 H36 Cl2 F2 N6 Ni O8C 1 2/c 116.991; 15.5187; 13.8864
90; 126.189; 90
2955.1Kwak, Chee-Hun; Chang, Mee
Crystal structure of [3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) diperchlorate
Acta Crystallographica Section E, 2021, 77, 148-152
2243733 CIF
HKL
Paper
C18 H25 B O2 SnC 1 2/c 130.1386; 11.2948; 16.4726
90; 139.457; 90
3644.9Breitwieser, Kevin; Chen, Peter
Crystal structure of a 1,1-dibutyl-1<i>H</i>,3<i>H</i>-naphtho[1,8-<i>cd</i>][1,2,6]oxastannaborinin-3-ol
Acta Crystallographica Section E, 2021, 77, 180-183
2243734 CIF
HKL
Paper
C30 H43 O2 PP -19.616; 15.8209; 19.0324
71.2052; 85.1144; 87.9801
2731Carsch, Kurtis M.; Ho, William; Lui, Kai Hin; Valtierra, Gregory; Dogutan, Dilek K.; Nocera, Daniel G.; Zheng, Shao-Liang
Crystal structure of the RuPhos ligand
Acta Crystallographica Section E, 2021, 77, 171-174
2243735 CIF
HKL
Paper
C27 H22 F2 O4P -110.14886; 11.1827; 11.6411
66.724; 77.693; 63.613
1086.06Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Yonezawa, Noriyuki; Okamoto, Akiko
Crystal structure of 1,2-bis(4-fluorophenyl)-1-hydroxy-2,3,8-trimethoxyacenaphthene: formation of a five-membered intramolecular O—H···O hydrogen-bonded ring
Acta Crystallographica Section E, 2021, 77, 175-179
2243736 CIF
HKL
Paper
C24 H21 N O4C 1 c 120.3693; 10.0956; 39.1991
90; 98.443; 90
7973.6Nguyen Tien, Cong; Vu Quoc, Trung; Nguyen Dang, Dat; Le Duc, Giang; Van Meervelt, Luc
Synthesis and structure of (<i>E</i>)-<i>N</i>-(4-methoxyphenyl)-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide
Acta Crystallographica Section E, 2021, 77, 184-189
2243737 CIF
HKL
Paper
C16 H22 N2 O3P 1 21/n 17.7368; 12.1233; 17.5528
90; 102.154; 90
1609.47Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243738 CIF
HKL
C15 H23 I N2 OP 1 21/n 17.5067; 22.657; 10.0894
90; 97.225; 90
1702.4Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243739 CIF
HKL
C15 H25 I N2 O2P 1 21/c 110.9091; 14.091; 11.4029
90; 100.338; 90
1724.4Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243740 CIF
HKL
Paper
C28 H21 N3 OP 21 21 2110.7038; 11.6096; 17.5182
90; 90; 90
2176.93Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile
Acta Crystallographica Section E, 2021, 77, 195-199
2243741 CIF
HKL
C25 H27 Cl N4 OP -18.4791; 10.4091; 13.6862
90.138; 94.833; 113.745
1100.9Ullah, Nisar; Stoeckli-Evans, Helen
Crystal structure and Hirshfeld surface analysis of the hydrochloride salt of 8-{4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 208-212
2243742 CIF
HKL
Paper
C22 H56 Cl4 N4 O4P 1 21/n 17.655; 23.533; 8.313
90; 102.45; 90
1462.3Moon, Dohyun; Choi, Jong-Ha
Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate from synchrotron X-ray data
Acta Crystallographica Section E, 2021, 77, 213-216
2243743 CIF
HKL
Paper
C20 H19 N3 O4C 1 2/c 133.888; 14.9497; 8.2021
90; 94.447; 90
4142.8Arderne, Charmaine; Fotsing, Marthe Carine Djuide; Ndinteh, Derek Tantoh
Synthesis and structure of 4-{[(<i>E</i>)-(7-methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one
Acta Crystallographica Section E, 2021, 77, 200-203
2243744 CIF
HKL
Paper
C4 H8 O4 S2P 1 n 14.9472; 9.9021; 7.1002
90; 91.464; 90
347.71Harlow, Richard L.; Oliver, Allen G.; Sammes, Michael P.
C—H···O contacts in the crystal structure of 1,3-dithiane 1,1,3,3-tetraoxide
Acta Crystallographica Section E, 2021, 77, 204-207
2243745 CIF
HKL
Paper
C20 H27 NP 21 21 2110.05103; 10.62943; 15.64759
90; 90; 90
1671.74Acelas, Mauricio; Dugarte-Dugarte, Analio; Romero Bohórquez, Arnold R.; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela
Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of <i>trans</i>-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine
Acta Crystallographica Section E, 2021, 77, 226-232
2243746 CIF
HKL
Paper
C54 H80 N8 O6P 1 21/c 113.8395; 20.0443; 9.6347
90; 102.8; 90
2606.3Amrhein, Felix; Schwarzer, Anke; Mazik, Monika
Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
Acta Crystallographica Section E, 2021, 77, 233-236
2243747 CIF
HKL
Paper
C15 H15 Br2 N O2P -16.8064; 9.5045; 11.9482
79.551; 87.82; 77.083
740.89Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Chervyakova, Lala V.; Grigoriev, Mikhail S.; Shelukho, Evgeniya R.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one
Acta Crystallographica Section E, 2021, 77, 237-241
2243748 CIF
HKL
Paper
C20 H19 N3 O2P 1 21/c 113.8467; 15.8409; 8.0225
90; 104.814; 90
1701.2Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide
Acta Crystallographica Section E, 2021, 77, 242-246
2243749 CIF
HKL
Paper
C22 H21 N3 OP 1 21/c 114.3493; 15.7501; 8.3737
90; 106.285; 90
1816.55Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide
Acta Crystallographica Section E, 2021, 77, 242-246
2243750 CIF
HKL
Paper
C27 H33 N O5P 1 21/n 19.5289; 18.6653; 13.8046
90; 96.41; 90
2439.93Allah, Omyma A. A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Elgarhy, Sahar M. I.
Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate
Acta Crystallographica Section E, 2021, 77, 247-250
2243751 CIF
HKL
Paper
C15 H15 Br2 N O2P 1 21/n 117.4839; 8.2993; 21.512
90; 106.115; 90
2998.83Mertsalov, Dmitriy F.; Zaytsev, Vladimir P.; Pokazeev, Kuzma M.; Grigoriev, Mikhail S.; Bachinsky, Alexander V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one
Acta Crystallographica Section E, 2021, 77, 255-259
2243752 CIF
HKL
Paper
C24 H24 N2 O5 SP -111.821; 11.8395; 16.7336
77.949; 79.555; 77.511
2213.3Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Sorokina, Elena A.; Vinokurova, Marina A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of (<i>RS</i>)-3-hydroxy-2-{[(3a<i>RS</i>,6<i>RS</i>,7a<i>RS</i>)-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindol-6-yl]methyl}isoindolin-1-one
Acta Crystallographica Section E, 2021, 77, 260-265
2243753 CIF
HKL
Paper
C14 H12 Cu N2 O6P -17.6516; 9.9272; 10.0722
95.204; 107.729; 111.462
660.34Gao, Sen; Fronczek, Frank R.; Maverick, Andrew W.
A copper complex of an unusual hydroxy‒carboxylate ligand: [Cu(bpy)(C~4~H~4~O~6~)]
Acta Crystallographica Section E, 2021, 77, 282-285
2243754 CIF
HKL
Paper
C8 H14 O2P 1 21/n 16.2758; 23.6912; 7.776
90; 91.21; 90
1155.9Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger
Threefold helical assembly <i>via</i> hydroxy hydrogen bonds: the 2:1 co-crystal of bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol and bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol
Acta Crystallographica Section E, 2021, 77, 270-276
2243755 CIF
HKL
Paper
C26 H20 N2 O3C 1 2/c 126.8396; 5.1174; 17.2574
90; 121.764; 90
2015.27Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structure and Hirshfeld surface analysis of 3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol
Acta Crystallographica Section E, 2021, 77, 266-269
2243756 CIF
HKL
Paper
C21 H16 F N3 O3 SP 1 21/c 118.3849; 7.7063; 13.9216
90; 100.136; 90
1941.6Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.
Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
Acta Crystallographica Section E, 2021, 77, 277-281
2243757 CIF
HKL
C22 H18 F N3 O4 SC 1 2/c 147.298; 4.8054; 18.4939
90; 100.429; 90
4134Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.
Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
Acta Crystallographica Section E, 2021, 77, 277-281
2243758 CIF
HKL
Paper
C23 H31 N3 O2 S SnP 1 21/n 111.272; 16.1954; 14.2778
90; 111.18; 90
2430.41Yusof, Enis Nadia Md; Kwong, Huey Chong; Karunakaran, Thiruventhan; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T.
Di-<i>n</i>-butyl[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)-<i>N</i>-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2021, 77, 286-293
2243759 CIF
HKL
Paper
C22 H22 Cl N3 O4 SP -18.6739; 10.549; 12.4021
91.351; 101.065; 97.235
1103.51Shyshkina, Mariia O.; Lega, Dmitry A.; Goryachiy, Volodymyr D.; Shemchuk, Ludmila M.; Levashov, Dmitriy V.; Shemchuk, Leonid A.
2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1<i>H</i>-benzo[<i>c</i>][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis
Acta Crystallographica Section E, 2021, 77, 294-297
2243760 CIF
HKL
Paper
C14 H21.61 K4 N8 Ni2 O18.81P b c a15.0694; 16.9659; 22.192
90; 90; 90
5673.74Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U.
Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]
Acta Crystallographica Section E, 2021, 77, 298-304
2243761 CIF
HKL
Paper
C17 H20 Cl N O5P 1 21/c 114.654; 8.9148; 13.045
90; 102.581; 90
1663.2Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward
Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
Acta Crystallographica Section E, 2021, 77, 314-318
2243762 CIF
HKL
Paper
C19 H24 Cl N O5P 1 21/c 114.6986; 10.6309; 25.131
90; 90.1851; 90
3926.9Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward
Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
Acta Crystallographica Section E, 2021, 77, 314-318
2243763 CIF
HKL
Paper
C24 H22 Cu3 N4 O16P -17.8669; 9.71; 10.424
97.016; 110.701; 109.049
678.2Mirzaei, Masoud; Bazargan, Maryam; Ebtehaj, Pouria; Mague, Joel T.
A redetermination of the structure and Hirshfeld surface analysis of poly[diaquadi-μ-hydroxido-tetrakis(μ-nicotinato <i>N</i>-oxide)tricopper(II)]
Acta Crystallographica Section E, 2021, 77, 309-313
2243764 CIF
HKL
Paper
C23 H19 Br N4 O2P 1 21/c 110.7812; 12.7877; 15.4575
90; 109.635; 90
2007.2Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N.
Crystal structure of 2-[(<i>E</i>)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole: the first example of a structurally characterized triarylazoimidazole
Acta Crystallographica Section E, 2021, 77, 305-308
2243765 CIF
HKL
Paper
C17 H19 N O4P 1 21/c 113.72487; 13.05333; 8.5597
90; 95.522; 90
1526.4Nowatschin, Vanessa; Näther, Christian; Lüning, Ulrich
Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate
Acta Crystallographica Section E, 2021, 77, 331-334
2243766 CIF
HKL
Paper
C23 H21 Cl N2 O3P b c a27.9446; 8.4311; 35.0101
90; 90; 90
8248.51Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.
Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Acta Crystallographica Section E, 2021, 77, 351-355
2243767 CIF
HKL
Paper
C24 H22 N2 O3P 1 21/c 110.3486; 13.9969; 27.5353
90; 93.797; 90
3979.69Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.
Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Acta Crystallographica Section E, 2021, 77, 351-355
2243768 CIF
HKL
Paper
C25 H23 N5 O S2P -18.6269; 9.8418; 14.9
90.588; 106.162; 101.441
1188.05Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243769 CIF
HKL
Paper
C48 H40 Cl4 N10 O3 S4P 1 2/c 115.037; 8.4266; 19.471
90; 96.246; 90
2452.5Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243770 CIF
HKL
Paper
C31 H27 N5 O4 S2P -110.783; 11.683; 13.577
93.54; 105.17; 113.2
1490.9Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243771 CIF
HKL
Paper
C32 H22 Br Cl2 N5 O S2P -112.32; 12.57; 12.7742
117.202; 102.879; 105.727
1548.4Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243772 CIF
HKL
Paper
C24 H20 Cl N O2P 1 21/c 110.5733; 22.848; 8.7151
90; 101.477; 90
2063.3Aydin, Abdullah; Akkurt, Mehmet; Turanli, Sumeyye; Lengerli, Deniz; Banoglu, Erden; Ozcelik, Nefise Dilek
Crystal structure and Hirshfeld surface analysis of 4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole
Acta Crystallographica Section E, 2021, 77, 346-350
2243773 CIF
HKL
Paper
C20 H27 F N2 O2P 1 21 110.2576; 9.5127; 10.5318
90; 104.691; 90
994.07Gumireddy, Ashwini; DeBoyace, Kevin; Rupprecht, Alexander; Gupta, Mohit; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.
Crystal structure of <i>tert</i>-butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate
Acta Crystallographica Section E, 2021, 77, 360-365
2243774 CIF
HKL
Paper
C12 H10 Br N O3 SP 21 21 214.8436; 13.9149; 18.5479
90; 90; 90
1250.1Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243775 CIF
HKL
C13 H11 Br N2 O4 SP -16.8904; 8.3224; 12.8763
83.423; 80.393; 85.693
722.06Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243776 CIF
HKL
C19 H23 Br N2 O5 SP 1 21/c 17.7375; 15.9728; 16.7621
90; 93.055; 90
2068.68Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243777 CIF
HKL
Paper
C33 H26 N4 O4P -111.5014; 11.534; 11.7878
73.567; 74.613; 64.218
1332.1Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; El-Emary, Talaat I.; Akkurt, Mehmet; Elgarhy, Sahar M. I.
Crystal structure and Hirshfeld surface analysis of (3<i>S</i>,3a<i>R</i>,6a<i>S</i>)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2<i>H</i>-pyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione
Acta Crystallographica Section E, 2021, 77, 356-359
2243778 CIF
HKL
Paper
C100 H88.32 N8 O12.16 S4P 1 21/c 112.049; 20.223; 9.1743
90; 100.91; 90
2195.1Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-<i>N</i>-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate
Acta Crystallographica Section E, 2021, 77, 366-371
2243779 CIF
HKL
C27 H30 N2 OP -17.7099; 11.2838; 12.9539
89.413; 79.094; 82.27
1096.41Ullah, Nisar; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline
Acta Crystallographica Section E, 2021, 77, 372-377
2243780 CIF
HKL
C26 H29 N3 OP -17.9142; 10.9051; 12.8896
87.271; 79.29; 82.206
1082.7Ullah, Nisar; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline
Acta Crystallographica Section E, 2021, 77, 372-377
2243781 CIF
HKL
Paper
C9 H7 N O2 SP 1 21/c 110.466; 12.1614; 14.7636
90; 110.362; 90
1761.71Laroum, Rima; Benouatas, Assia; Hamdouni, Noudjoud; Zemamouche, Wissame; Boudjada, Ali; Debache, Abdelmadjid
Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-3-methyl-4-(thiophen-2-ylmethylidene)isoxazol-5(4<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 378-382
2243782 CIF
HKL
Paper
C24 H43 B Si3 UP -18.753; 12.217; 13.657
94.159; 96.016; 103.256
1406.6Windorff, Cory J.; Cross, Justin N.; Scott, Brian L.; Kozimor, Stosh A.; Evans, William J.
Crystallographic characterization of (C~5~H~4~SiMe~3~)~3~U(BH~4~)
Acta Crystallographica Section E, 2021, 77, 383-389
2243783 CIF
HKL
Paper
C13 H13 N3 OP b c a9.6545; 11.2437; 22.9108
90; 90; 90
2487Idrissi, Ahlam; Chkirate, Karim; Abad, Nadeem; Djerrari, Bahia; Achour, Redouane; Essassi, El Mokhtar; Van Meervelt, Luc
Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole
Acta Crystallographica Section E, 2021, 77, 396-401
2243784 CIF
HKL
Paper
C20 H20 Cl N2 Na O8 S2P -15.7347; 10.9336; 18.4692
104.844; 97.478; 95.404
1100Tapmeyer, Lukas; Eisenbeil, Daniel; Bolte, Michael; Schmidt, Martin U.
First crystal structure of a Pigment Red 52 compound: DMSO solvate hydrate of the monosodium salt
Acta Crystallographica Section E, 2021, 77, 402-405
2243785 CIF
HKL
Paper
C20 H24 Cu N4 O8C 1 2/c 112.7286; 7.4918; 22.8967
90; 98.395; 90
2160.04Kansiz, Sevgi; Qadir, Adnan M.; Dege, Necmi; Yongxin, Li; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitrobenzoate and tetramethylethylenediamine ligands
Acta Crystallographica Section E, 2021, 77, 412-415
2243786 CIF
HKL
Paper
C19 H24 N2 O3P -17.8791; 9.2908; 13.5352
108.081; 104.365; 95.903
894.87Pham, Duyen N. K.; Sammeta, Vamshikrishna Reddy; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
`Foxtrot' fumarate: a water-soluble salt of <i>N</i>,<i>N</i>-diallyl-5-methoxytryptamine (5-MeO-DALT)
Acta Crystallographica Section E, 2021, 77, 416-419
2243787 CIF
HKL
Paper
C26 H24 Br N3 SC 1 c 114.5474; 17.8777; 9.0803
90; 108.773; 90
2235.92Mohamed, Shaaban K.; Elgarhy, Sahar M. I.; Hassan, Alaa A.; Demirtaş, Güneş; Mague, Joel. T.; Ramli, Youssef
Crystal structure of (<i>E</i>)-1-(3-benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide
Acta Crystallographica Section E, 2021, 77, 420-423
2243788 CIF
Paper
C6 H16 Cl4 Co N2C 1 2/c 17.6431; 11.9347; 14.0058
90; 95.519; 90
1271.66Landolsi, Meriem; Abid, Sonia
Crystal structure and Hirshfeld surface analysis of <i>trans</i>-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)
Acta Crystallographica Section E, 2021, 77, 424-427
2243789 CIF
HKL
Paper
C36 H35.96 Br N2 O6.48C 1 2 115.7469; 13.2627; 17.8602
90; 106.376; 90
3578.7Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243790 CIF
HKL
Paper
C84 H94 Br2 N4 O15C 1 2 116.4119; 13.5643; 17.8475
90; 107.318; 90
3793Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243791 CIF
HKL
Paper
C39.28 H41.57 Br N2 O7.64P 1 21 116.1525; 13.5353; 17.8572
90; 107.359; 90
3726.3Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243792 CIF
HKL
Paper
C81 H89 Br2 N4 O14C 1 2 116.0678; 13.644; 17.872
90; 107.635; 90
3733.9Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243793 CIF
HKL
Paper
C36 H35 Br N2 O6C 1 2 115.7494; 13.3568; 17.8634
90; 106.5; 90
3603Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243794 CIF
HKL
Paper
C36 H35 Br N2 O6C 1 2 115.7494; 13.3568; 17.8634
90; 106.5; 90
3603Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.
Maleate salts of bedaquiline
Acta Crystallographica Section E, 2021, 77, 433-445
2243795 CIF
HKL
Paper
C14 H16 Co N6 S2P 1 21/n 18.2442; 11.9186; 8.9204
90; 100.807; 90
860.97Krebs, Christoph; Jess, Inke; Näther, Christian
Synthesis, crystal structure and thermal properties of poly[bis[μ~2~-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)]
Acta Crystallographica Section E, 2021, 77, 428-432
2243796 CIF
HKL
Paper
C12 H16 Cl2 Cu N8P 1 21/n 18.8662; 13.3199; 13.919
90; 90.042; 90
1643.79Li, Ting Bin; Hu, Ya Li; Li, Ji Kun; He, Guo Fang
Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum
Acta Crystallographica Section E, 2021, 77, 450-451
2243797 CIF
HKL
Paper
C16 H15 N5P 1 21/c 18.2521; 10.2774; 16.2102
90; 92.07; 90
1373.89Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile
Acta Crystallographica Section E, 2021, 77, 512-515
2243798 CIF
HKL
Paper
C16 H13 Cl2 N5C 1 c 18.6598; 16.0275; 11.659
90; 90.7364; 90
1618.08Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile
Acta Crystallographica Section E, 2021, 77, 516-521
2243799 CIF
HKL
Paper
C15 H12 Br2 F3 N O2P 1 21/c 16.6543; 18.9031; 25.1995
90; 97.132; 90
3145.24Mertsalov, Dmitriy F.; Alekseeva, Kseniia A.; Daria, Magrycheva S.; Cheshigin, Maxim E.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Grigoriev, Mikhail S.; Mlowe, Sixberth
(3a<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>,7a<i>R</i>)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2021, 77, 466-472
2243800 CIF
HKL
C20 H28 N2 O8 S4P -15.5843; 9.0061; 12.739
101.537; 94.313; 103.701
604.8Pacifico, Jessica; Stoeckli-Evans, Helen
A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks
Acta Crystallographica Section E, 2021, 77, 480-490
2243801 CIF
HKL
C20 H28 N2 O8 S4P -14.9424; 8.993; 14.19
96.96; 97.14; 100.72
608.1Pacifico, Jessica; Stoeckli-Evans, Helen
A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks
Acta Crystallographica Section E, 2021, 77, 480-490
2243802 CIF
HKL
C20 H27 K N2 O8 S4C 1 2/c 130.08; 8.4716; 9.5908
90; 94.717; 90
2435.7Pacifico, Jessica; Stoeckli-Evans, Helen
A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks
Acta Crystallographica Section E, 2021, 77, 480-490
2243803 CIF
HKL
C20 H26 K2 N2 O8 S4C 1 2/c 127.908; 8.2916; 11.3035
90; 94.753; 90
2606.7Pacifico, Jessica; Stoeckli-Evans, Helen
A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks
Acta Crystallographica Section E, 2021, 77, 480-490
2243804 CIF
HKL
Paper
C14 H9 Br N2 O SP 1 21/c 124.221; 4.9481; 10.9981
90; 95.371; 90
1312.31Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents
Acta Crystallographica Section E, 2021, 77, 504-511
2243805 CIF
HKL
Paper
C15 H11 N3 O4 SP n a 2120.085; 20.165; 7.322
90; 90; 90
2965.5Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents
Acta Crystallographica Section E, 2021, 77, 504-511

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