Crystallography Open Database

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2243205 CIF
HKL
Paper
C46 H56 O15P 21 21 218.973; 20.9171; 23.9201
90; 90; 90
4489.5Yang, Hequn; Zhao, Jiangyu; Talipov, Samat; Izotova, Lidiya; Aisa, Hadji Akbar; Ibragimov, Bakhtiyar
Crystal and molecular structure of jatrophane diterpenoid (2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene
Acta Crystallographica Section E, 2019, 75, 1884-1887
2243206 CIF
HKL
Paper
C16 H12 O3P 1 21/c 13.851; 22.2541; 13.7837
90; 96.766; 90
1173.04Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena
Crystal structures of (<i>E</i>)-3-(4-hydroxybenzylidene)chroman-4-one and (<i>E</i>)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
Acta Crystallographica Section E, 2019, 75, 1907-1913
2243207 CIF
HKL
Paper
C22 H16 O3P -15.3969; 11.6576; 12.944
91.992; 98.282; 97.568
797.66Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena
Crystal structures of (<i>E</i>)-3-(4-hydroxybenzylidene)chroman-4-one and (<i>E</i>)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
Acta Crystallographica Section E, 2019, 75, 1907-1913
2243208 CIF
HKL
Paper
C36 H24 N6P -17.312; 8.847; 11.039
100.05; 102.247; 104.314
656.5Sedykh, Alexander E.; Kurth, Dirk G.; Müller-Buschbaum, Klaus
The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene
Acta Crystallographica Section E, 2019, 75, 1947-1951
2243209 CIF
HKL
Paper
C11 H10 N2 OP 1 21/n 17.1507; 8.8177; 15.4602
90; 97.914; 90
965.52Saber, Asmaa; Srhir, Mohamed; Hökelek, Tuncer; Mague, Joel T.; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one
Acta Crystallographica Section E, 2019, 75, 1940-1946
2243210 CIF
HKL
C20 H18 N2 O3P -18.4213; 9.0739; 12.2238
106.501; 92.39; 100.75
875.43Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Mahi, Lhassane; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine
Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetic acid
Acta Crystallographica Section E, 2019, 75, 1925-1929
2243211 CIF
HKL
Paper
C13 H16 N4 O3P 1 21/n 18.4766; 9.4841; 16.9904
90; 94.308; 90
1362.05Ben Ali, Abdelkader; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.
Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2<i>S</i>,3<i>R</i>)-3-(3-amino-1<i>H</i>-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate
Acta Crystallographica Section E, 2019, 75, 1919-1924
2243212 CIF
HKL
Paper
C14 H12 Br N O2P -18.2301; 10.1593; 15.9428
102.496; 90.597; 103.213
1264.46Doğan, Onur Erman; Dege, Necmi; Ağar, Erbil; Fritsky, Igor O.
(<i>E</i>)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2019, 75, 1930-1933
2243213 CIF
Paper
C14 H16 N2 O2 S2I 41 c d28.3247; 28.3247; 7.282
90; 90; 90
5842.3Bibila Mayaya Bisseyou, Yvon; Ouattara, Mahama; Soro, Pénétjiligué Adama; Yao-Kakou, R. C. A.; Tenon, Abodou Jules
Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-dimethylimidazo[1,2-<i>a</i>]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate
Acta Crystallographica Section E, 2019, 75, 1934-1939
2243214 CIF
HKL
Paper
C23 H18 N2 O2 SP 1 21/c 19.6158; 19.8846; 10.3773
90; 93.712; 90
1980.04Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly
Acta Crystallographica Section E, 2020, 76, 48-52
2243215 CIF
HKL
Paper
C24 H20 N2 O2 SP 1 21/c 19.4336; 20.6071; 10.5866
90; 93.106; 90
2055Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly
Acta Crystallographica Section E, 2020, 76, 48-52
2243216 CIF
HKL
Paper
C15 H10 I2 OP 1 21/c 17.265; 32.864; 5.8446
90; 92.277; 90
1394.3Spruce, Kieran J.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Cremeens, Matthew E.; D'ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Gabrielle I.; Warren, Stephen D.; Hall, Simon R.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2020, 76, 72-76
2243217 CIF
HKL
C22 H17 N O2P 1 21/c 114.985; 6.0116; 19.106
90; 106.796; 90
1647.7Ahmed, Adeeba; Faizi, Md. Serajul Haque; Ahmad, Aiman; Ahmad, Musheer; Fritsky, Igor O.
Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid
Acta Crystallographica Section E, 2020, 76, 62-65
2243218 CIF
HKL
Paper
C16 H30 Mn N2 O4P 1 21/n 110.4234; 14.3123; 13.6047
90; 103.154; 90
1976.34Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt
Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)
Acta Crystallographica Section E, 2020, 76, 66-71
2243219 CIF
HKL
C16 H30 Fe N2 O4P 1 21/n 110.2021; 15.4708; 12.4881
90; 95.382; 90
1962.37Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt
Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)
Acta Crystallographica Section E, 2020, 76, 66-71
2243220 CIF
HKL
C16 H30 N2 O4 ZnP 1 21/n 110.2335; 14.2134; 13.6738
90; 101.208; 90
1950.96Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt
Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)
Acta Crystallographica Section E, 2020, 76, 66-71
2243221 CIF
HKL
Paper
C28 H18 Cl4 Co N4 O2P -18.8137; 10.4801; 15.0785
85.684; 77.984; 84.965
1354.7Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue
Acta Crystallographica Section E, 2020, 76, 53-61
2243222 CIF
HKL
Paper
C28 H18 Cl4 Cu N4 O2P -18.13; 8.5072; 9.7386
83.24; 87.646; 81.533
661.39Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue
Acta Crystallographica Section E, 2020, 76, 53-61
2243223 CIF
HKL
Paper
C24 H23 N5 O2P 1 21/c 19.0872; 21.1012; 11.7134
90; 112.654; 90
2072.77Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate
Acta Crystallographica Section E, 2020, 76, 95-101
2243224 CIF
HKL
Paper
C8 H14 O4C 1 2/c 116.9457; 9.6453; 12.1052
90; 116.986; 90
1763.12Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.
Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride
Acta Crystallographica Section E, 2020, 76, 86-90
2243225 CIF
HKL
Paper
C16 H26 O7P -110.355; 11.928; 14.496
73.128; 84.9; 89.499
1706.3Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.
Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride
Acta Crystallographica Section E, 2020, 76, 86-90
2243226 CIF
HKL
Paper
C18 H33 Cl N4 O2C 1 2/c 120.2125; 9.6926; 10.1458
90; 100.445; 90
1954.74Bhardwaj, Minakshi; Ai, Qianxiang; Parkin, Sean R.; Grossman, Robert B.
An unusually short intermolecular N—H···N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-<i>exo</i>-acetamidopyrrolizidine
Acta Crystallographica Section E, 2020, 76, 77-81
2243227 CIF
HKL
Paper
C28 H22 N4 O9C 1 2/c 115.954; 5.4599; 28.397
90; 92.299; 90
2471.6Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Mohiuddin, Md.; Sarker, Md. Sohug; Salim, Mohammad; Alam, Md. Mahbubul
Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether
Acta Crystallographica Section E, 2020, 76, 91-94
2243228 CIF
HKL
Paper
C18 H28 Cu N6 O10C 1 c 126.7742; 20.8916; 8.4254
90; 93.46; 90
4704.2Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate
Acta Crystallographica Section E, 2020, 76, 111-114
2243229 CIF
HKL
C11 H17 N3 O SC 1 2/c 126.637; 10.7617; 20.2108
90; 121.932; 90
4916.9Pires, Fabrício Carvalho; Bresolin, Leandro; Gervini, Vanessa Carratu; Tirloni, Bárbara; Bof de Oliveira, Adriano
Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1<i>R</i>,4<i>S</i>)- and 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide
Acta Crystallographica Section E, 2020, 76, 115-120
2243230 CIF
HKL
Paper
C28 H26 N4 O6P -19.6543; 9.9235; 14.167
100.755; 108.318; 95.617
1247.9Tan, Sang Loon; Tiekink, Edward R. T.
The 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 102-110
2243231 CIF
HKL
Paper
C30 H30 Mn2 N6 O4 S5 Sb2P -111.9227; 12.1592; 14.9217
104.293; 101.701; 112.585
1825.27Danker, Felix; Näther, Christian; Bensch, Wolfgang
Synthesis and crystal structure of <i>catena</i>-poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network
Acta Crystallographica Section E, 2020, 76, 32-37
2243232 CIF
HKL
Paper
C10 H12 Ag2 N14 S6P 1 21/n 14.8718; 15.9511; 13.9575
90; 96.945; 90
1076.69Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit
Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2020, 76, 42-47
2243233 CIF
HKL
C15 H22 N4 O5 SP b c a12.4962; 9.9237; 29.5925
90; 90; 90
3669.7Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry
Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate
Acta Crystallographica Section E, 2020, 76, 12-17
2243234 CIF
HKL
Paper
C26 H19 Cl N4 SP 1 21/c 116.456; 10.42; 26.391
90; 90.031; 90
4525Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles
Acta Crystallographica Section E, 2020, 76, 18-24
2243235 CIF
HKL
Paper
C26 H18 Cl F N4 SP 1 21/c 115.34; 11.1619; 15.385
90; 119.48; 90
2293.2Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles
Acta Crystallographica Section E, 2020, 76, 18-24
2243236 CIF
HKL
Paper
C26 H18 Br Cl N4 SP 21 21 219.5735; 9.686; 25.644
90; 90; 90
2377.9Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles
Acta Crystallographica Section E, 2020, 76, 18-24
2243237 CIF
HKL
Paper
C23 H27 N O6P -18.7024; 9.8709; 13.1621
90.3822; 108.961; 97.3571
1059.08Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.
Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives
Acta Crystallographica Section E, 2020, 76, 125-131
2243238 CIF
HKL
Paper
C23 H29 N O6P 1 21/n 110.8854; 25.2446; 15.3665
90; 100.761; 90
4148.4Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.
Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives
Acta Crystallographica Section E, 2020, 76, 125-131
2243239 CIF
HKL
Paper
C29 H29 N O3P 1 21/n 111.6527; 18.1986; 12.3435
90; 114.876; 90
2374.74Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.
Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives
Acta Crystallographica Section E, 2020, 76, 125-131
2243240 CIF
HKL
Paper
C4 H5 N3 O4P -15.592; 7.2162; 8.4021
109.148; 93.889; 103.282
307.92Ponjan, Nutcha; Aroonchat, Purita; Chainok, Kittipong
Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium hydrogen oxalate
Acta Crystallographica Section E, 2020, 76, 137-140
2243241 CIF
HKL
Paper
C14 H12 Cl N OP b c a14.0717; 6.4811; 26.767
90; 90; 90
2441.2Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.
Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol
Acta Crystallographica Section E, 2020, 76, 141-144
2243242 CIF
HKL
Paper
C18 H19 Br F N3 SP 21 21 216.8473; 12.5587; 19.809
90; 90; 90
1703.44Abdelrazeq, Alaa S.; Ghabbour, Hazem A.; El-Emam, Ali A.; Osman, Doaa Ahmed; Garcia-Granda, Santiago
Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2020, 76, 162-166
2243243 CIF
HKL
Paper
C28 H38 B2 F10 Na2 O4P -17.9698; 10.1104; 11.5208
113.461; 105.685; 91.805
809.63Tanaka, Ryo; Shiono, Takeshi
Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium
Acta Crystallographica Section E, 2020, 76, 145-147
2243244 CIF
HKL
Paper
C18 H17 Cl N2 O2P n a 2126.2059; 4.8119; 12.8084
90; 90; 90
1615.14Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S.
Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate
Acta Crystallographica Section E, 2020, 76, 132-136
2243245 CIF
Paper
C12 H14 Cl2 Cu N2 O2P 1 21/n 19.3322; 7.7341; 20.1143
90; 90.002; 90
1451.77Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio F.; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar E.; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.
Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
Acta Crystallographica Section E, 2020, 76, 148-154
2243246 CIF
HKL
Paper
C12 H15 N3 O5 SP 1 21/c 17.4203; 10.3241; 18.4191
90; 95.471; 90
1404.62Tan, Sang Loon; Jotani, Mukesh M.; Tiekink, Edward R. T.
3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 155-161
2243247 CIF
HKL
Paper
D14 K3 O11 PP 1 21 17.8325; 9.3406; 8.4471
90; 108.727; 90
585.27Weil, Matthias; Stöger, Berthold
Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O
Acta Crystallographica Section E, 2020, 76, 177-179
2243248 CIF
HKL
Paper
C17 H13 N OP 1 21/c 114.859; 17.747; 9.995
90; 101.06; 90
2586.8Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.
Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)
Acta Crystallographica Section E, 2020, 76, 192-196
2243249 CIF
HKL
Paper
C32 H22 N2 O2P 1 21/c 112.272; 18.72; 11.425
90; 115.85; 90
2362.1Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.
Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)
Acta Crystallographica Section E, 2020, 76, 192-196
2243250 CIF
HKL
Paper
H2 O4 S2 SrP -14.6858; 5.9178; 9.0167
84.889; 87.284; 80.785
245.68Klein, Wilhelm
Crystal structure of strontium thiosulfate monohydrate
Acta Crystallographica Section E, 2020, 76, 197-200
2243251 CIF
HKL
Paper
C45 H3 Br8 Cl3 F20 N4P 1 21 115.5162; 6.8288; 24.5631
90; 104.683; 90
2517.6Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.
Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate
Acta Crystallographica Section E, 2020, 76, 214-220
2243252 CIF
HKL
C48 H10 Br8 F20 N4 OP 1 21/n 121.524; 9.545; 26.02
90; 107.426; 90
5100Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.
Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate
Acta Crystallographica Section E, 2020, 76, 214-220
2243253 CIF
HKL
Paper
C26 H25 N3 OP 21 21 216.2502; 15.7915; 20.7395
90; 90; 90
2046.99Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco
The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide
Acta Crystallographica Section E, 2020, 76, 201-207
2243254 CIF
HKL
Paper
C15 H17 N O2 SP 1 21 19.655; 5.882; 12.18
90; 96.275; 90
687.6Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
Crystal structure of 4-methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide
Acta Crystallographica Section E, 2020, 76, 235-238
2243255 CIF
HKL
Paper
C24 H16 Br4 Cu2 N4 O10P 1 21/c 17.5596; 9.7402; 20.5332
90; 94.345; 90
1507.56Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex
Acta Crystallographica Section E, 2020, 76, 225-230
2243256 CIF
HKL
Paper
C9 H18 B12 F11 N O3 SeP b c a12.6157; 16.9629; 22.2759
90; 90; 90
4767Jenne, Carsten; Nierstenhöfer, Marc C.
[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents
Acta Crystallographica Section E, 2020, 76, 221-224
2243257 CIF
HKL
Paper
C7 H3 F5 I N SP n m a8.0634; 7.7088; 16.441
90; 90; 90
1021.96González Espiet, Jean C.; Cintrón Cruz, Juan A.; Piñero Cruz, Dalice M.
Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile
Acta Crystallographica Section E, 2020, 76, 231-234
2243258 CIF
HKL
Paper
C13 H18 N2 O S2P -14.7131; 11.6998; 13.5696
85.225; 81.139; 87.379
736.35Rusli, Aqilah Fasihah; Kwong, Huey Chong; Crouse, Karen A.; Jotani, Mukesh M.; Tiekink, Edward R. T.
(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2020, 76, 208-213
2243259 CIF
HKL
Paper
C50 H57 N6 O10.5P 21 21 219.9955; 15.8364; 31.1356
90; 90; 90
4928.5Le, Thuy Quynh; Nguyen, Xuan Tu; Nguyen, Hung Huy; Mac, Dinh Hung; Bui, Thai Thanh Thu
Crystal structure of a tripeptide biphenyl hybrid C~50~H~56~N~6~O~10~·0.5H~2~O
Acta Crystallographica Section E, 2020, 76, 257-260
2243260 CIF
Paper
C33 H47 Li N2 O4 SnP 1 21/n 19.9766; 17.7991; 18.8402
90; 95.51; 90
3330.1Bischof, Tobias; Evans, Kieren J.; Haddow, Mairi F.; Mansell, Stephen M.
An indenide-tethered N-heterocyclic stannylene
Acta Crystallographica Section E, 2020, 76, 254-256
2243261 CIF
HKL
Paper
C8 H7 N O5P 1 21/c 16.8249; 14.3395; 8.9089
90; 106.678; 90
835.2Vusak, Vitomir; Vusak, Darko; Molcanov, Kresimir; Ernest, Mestrovic
Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde
Acta Crystallographica Section E, 2020, 76, 239-244
2243262 CIF
HKL
Paper
C28 H24 Cl2 N4 O6P -19.9401; 11.2002; 12.3308
78.871; 78.816; 81.992
1313.98Tan, Sang Loon; Tiekink, Edward R. T.
Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and 4-chlorobenzoic acid
Acta Crystallographica Section E, 2020, 76, 245-253
2243263 CIF
HKL
Paper
C28 H26 Fe N4 O4 S2P 1 21/n 112.1111; 7.2385; 16.1716
90; 94.73; 90
1412.87Wellm, Carsten; Näther, Christian
Crystal structure, synthesis and thermal properties of bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)
Acta Crystallographica Section E, 2020, 76, 276-280
2243264 CIF
HKL
Paper
C13 H23 Br3 N2 Ni O8P 1 21/c 16.8071; 23.8031; 13.6302
90; 97.476; 90
2189.7Westcott, Barry L.; Crundwell, Guy; Alicea-Velázquez, Nilda L.
Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate
Acta Crystallographica Section E, 2020, 76, 270-272
2243265 CIF
HKL
Paper
C44.836 H83.674 Ba7 O33.892P b c n15.7831; 14.0136; 30.5583
90; 90; 90
6758.83Samolová, Erika; Fábry, Jan
Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]
Acta Crystallographica Section E, 2020, 76, 264-269
2243266 CIF
HKL
Paper
C50 H36 N6 O5 ZnP 1 21 110.8054; 19.3938; 12.7467
90; 98.523; 90
2641.7Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard
Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)
Acta Crystallographica Section E, 2020, 76, 273-275
2243267 CIF
HKL
Paper
C24 H27 Cl2 N O SP -18.9961; 10.3755; 13.2565
73.857; 88.119; 74.182
1142.32Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Redouane, Achour; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one
Acta Crystallographica Section E, 2020, 76, 281-287
2243268 CIF
HKL
Paper
C37 H46 N6 O10 ZnP -111.0402; 13.8056; 14.419
63.256; 74.098; 75.307
1865.63Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Seredyuk, Maksym
Crystal structure of the mixed methanol and ethanol solvate of bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)
Acta Crystallographica Section E, 2020, 76, 303-308
2243269 CIF
HKL
Paper
C10 H19 N O3P 1 21/c 116.1791; 5.9209; 12.5007
90; 106.093; 90
1150.6Langenohl, Felix; Otte, Felix; Strohmann, Carsten
Crystal structure of 2-methyl-1,2,3,4-tetrahydroisoquinoline trihydrate
Acta Crystallographica Section E, 2020, 76, 298-302
2243270 CIF
HKL
Paper
C26 H24 Cl4 Mn N6P 1 21/c 17.4892; 15.9488; 22.4266
90; 94.896; 90
2668.94Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Petrusenko, Svitlana R.; Melnyk, Andrii K.; Skelton, Brian W.
Crystal structure of imidazo[1,5-<i>a</i>]pyridinium-based hybrid salt (C~13~H~12~N~3~)~2~[MnCl~4~]
Acta Crystallographica Section E, 2020, 76, 309-313
2243271 CIF
HKL
Paper
C17 H29 Br O SiP 1 21/c 113.0955; 15.3457; 9.0449
90; 94.617; 90
1811.76Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.
Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
Acta Crystallographica Section E, 2020, 76, 318-323
2243272 CIF
HKL
C17 H30 O SiP n m a14.47237; 17.4657; 6.73933
90; 90; 90
1703.5Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.
Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
Acta Crystallographica Section E, 2020, 76, 318-323
2243273 CIF
HKL
C18 H35 N Si2C m c m12.199; 12.091; 14.177
90; 90; 90
2091.1Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.
Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
Acta Crystallographica Section E, 2020, 76, 318-323
2243274 CIF
HKL
Paper
C14 H36 Cl4 N4 O8P -17.499; 8.079; 9.98
81.31; 77.32; 78.39
574.2Moon, Dohyun; Choi, Jong-Ha
Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data
Acta Crystallographica Section E, 2020, 76, 324-327
2243275 CIF
HKL
Paper
C3 H3 N4 O3 TlP 1 21/c 110.0731; 3.74576; 16.9805
90; 95.808; 90
637.41Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.
Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
Acta Crystallographica Section E, 2020, 76, 328-331
2243276 CIF
HKL
Paper
Al3 B4 O12 TbR 3 2 :H9.2992; 9.2992; 7.2588
90; 90; 120
543.61Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.
Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)
Acta Crystallographica Section E, 2020, 76, 339-343
2243277 CIF
HKL
Paper
Al3 B4 Dy O12R 3 2 :H9.2938; 9.2938; 7.2348
90; 90; 120
541.18Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.
Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)
Acta Crystallographica Section E, 2020, 76, 339-343
2243278 CIF
HKL
Paper
Al3 B4 Ho O12R 3 2 :H9.2832; 9.2832; 7.2345
90; 90; 120
539.93Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.
Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)
Acta Crystallographica Section E, 2020, 76, 339-343
2243279 CIF
HKL
C10 H6 O9 SrC 1 2/c 125.8191; 11.9726; 7.1467
90; 90.662; 90
2209.05Mokhtari, Samia; Chahrazed, Trifa; Bouacida, Sofiane; Boudaren, Chaouki; Abdelbaky, Mohammed S.M.; García-Granda, Santiago
Synthesis, crystal structure, and thermal properties of poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]
Acta Crystallographica Section E, 2020, 76, 354-359
2243280 CIF
HKL
Paper
C12 H13 N3 O2 SP 1 21/c 17.2863; 13.9178; 11.6156
90; 98.866; 90
1163.85Srhir, Mohamed; Sebbar, Nada Kheira; Hökelek, Tuncer; Moussaif, Ahmed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one
Acta Crystallographica Section E, 2020, 76, 370-376
2243281 CIF
HKL
Paper
C18 H13 Cl O2P 1 21/c 117.99; 14.2529; 5.8661
90; 94.419; 90
1499.7Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products
Acta Crystallographica Section E, 2020, 76, 360-365
2243282 CIF
HKL
Paper
C18 H13 Br O2P 1 21/c 118.286; 14.277; 5.8489
90; 94.521; 90
1522.2Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products
Acta Crystallographica Section E, 2020, 76, 360-365
2243283 CIF
HKL
Paper
C19 H16 Cl N3 O SP 1 21/n 115.0182; 6.0579; 20.8286
90; 110.573; 90
1774.11Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products
Acta Crystallographica Section E, 2020, 76, 360-365
2243284 CIF
HKL
Paper
C19 H16 Br N3 O SP 1 21/n 115.1255; 6.0426; 21.026
90; 110.555; 90
1799.4Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products
Acta Crystallographica Section E, 2020, 76, 360-365
2243285 CIF
HKL
Paper
C20 H19 N3 O2 SP 1 21/c 111.7852; 7.5345; 20.599
90; 93.555; 90
1825.6Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products
Acta Crystallographica Section E, 2020, 76, 360-365
2243286 CIF
HKL
Paper
C96 H194 Li2 O98P 115.00386; 17.0413; 17.64915
117.041; 96.8906; 96.8281
3912.77Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill
Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin
Acta Crystallographica Section E, 2020, 76, 349-353
2243287 CIF
HKL
Paper
C23 H28 O4P 1 2/n 115.4741; 5.0224; 25.518
90; 99.858; 90
1953.9Taia, Abdelmaoujoud; Essaber, Mohamed; Hökelek, Tuncer; Aatif, Abdeljalil; Mague, Joel T.; Alsalme, Ali; Al-Zaqri, Nabil
Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane
Acta Crystallographica Section E, 2020, 76, 344-348
2243288 CIF
HKL
Paper
C17 H18 Cl N O2P 21 21 216.459; 7.3545; 31.3436
90; 90; 90
1488.91Oubella, Ali; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Auhmani, Abdelwahed
Crystal structure of (<i>R</i>)-5-[(<i>R</i>)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone
Acta Crystallographica Section E, 2020, 76, 400-403
2243289 CIF
HKL
Paper
C36 H40 Cd I2 N6I 1 2/a 112.837; 20.1241; 15.2568
90; 110.871; 90
3682.7Tesouro Vallina, Ana; Stoeckli-Evans, Helen
The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)
Acta Crystallographica Section E, 2020, 76, 410-416
2243290 CIF
HKL
Paper
C36.6 H41.2 Cl3.2 N6 ZnP -111.9196; 12.1208; 13.919
98.222; 100.313; 107.58
1843.9Tesouro Vallina, Ana; Stoeckli-Evans, Helen
The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)
Acta Crystallographica Section E, 2020, 76, 410-416
2243291 CIF
HKL
Paper
C22 H27 N OP 1 21/n 113.3077; 10.3009; 13.9338
90; 104.657; 90
1847.91Periyannan, P.; Beemarao, M.; Karthik, K.; Ponnuswamy, S.; Ravichandran, K.
Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[<i>r</i>-2,<i>c</i>-6-diphenyl-<i>t</i>-3-(propan-2-yl)piperidin-1-yl]ethan-1-one
Acta Crystallographica Section E, 2020, 76, 377-381
2243292 CIF
HKL
Paper
C27 H18 N2 O3C 1 c 19.969; 24.8828; 8.3049
90; 94.356; 90
2054.13Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana
Structural, Hirshfeld and DFT studies of conjugated <i>D</i>‒π‒<i>A</i> carbazole chalcone crystal
Acta Crystallographica Section E, 2020, 76, 387-391
2243293 CIF
HKL
C13 H9 Cl N2 O2P 1 21/c 13.8195; 22.826; 13.6381
90; 92.829; 90
1187.6Leela, Sundararaman; Subashini, Ashokkumar; Reji, Philip; Ramamurthi, Kandasami; Stoeckli-Evans, Helen
Whole-molecule disorder of the Schiff base compound 4-chloro-<i>N</i>-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2020, 76, 417-422
2243294 CIF
HKL
C16 H32 N6P 1 21/n 19.7577; 10.348; 9.9118
90; 101.663; 90
980.2Tesouro Vallina, Ana; Stoeckli-Evans, Helen
Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product
Acta Crystallographica Section E, 2020, 76, 404-409
2243295 CIF
HKL
C36 H40 N6P -18.6753; 8.916; 10.0631
85.774; 73.468; 82.467
739.21Tesouro Vallina, Ana; Stoeckli-Evans, Helen
Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product
Acta Crystallographica Section E, 2020, 76, 404-409
2243296 CIF
HKL
C28 H29 N5P -18.686; 9.7731; 14.3948
85.915; 75.349; 78.891
1159.8Tesouro Vallina, Ana; Stoeckli-Evans, Helen
Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product
Acta Crystallographica Section E, 2020, 76, 404-409
2243297 CIF
HKL
Paper
C34 H22 Br6 Cu N4 O3 SP 1 21/n 18.9922; 16.461; 24.835
90; 92.491; 90
3672.6Chetioui, Souheyla; Bougueria, Hassiba; Brihi, Ouarda; Boutebdja, Mehdi; Bouroumane, Nadia; Merazig, Hocine; Touzani, Rachid
Crystal structure, characterization and Hirshfeld analysis of bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate
Acta Crystallographica Section E, 2020, 76, 382-386
2243298 CIF
HKL
Paper
C16 H16 Br N3 SP 1 21/c 112.138; 8.336; 15.872
90; 93.91; 90
1602.2Duruskari, Gulnara Sh.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
Acta Crystallographica Section E, 2020, 76, 427-431
2243299 CIF
HKL
Paper
C18 H18 Ca Cu N4 O5 S2P 1 21/n 18.5623; 10.5377; 24.4439
90; 90.768; 90
2205.3Plyuta, Nataliya; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Omelchenko, Iryna; Petrusenko, Svitlana
A binuclear Cu^II^/Ca^II^ thiocyanate complex with a Schiff base ligand derived from <i>o</i>-vanillin and ammonia
Acta Crystallographica Section E, 2020, 76, 423-426
2243300 CIF
HKL
Paper
C10 H11 N O4P -18.706; 13.753; 14.683
116.142; 93.871; 96.985
1552El Ghallab, Yassine; Derfoufi, Sanae; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol
Acta Crystallographica Section E, 2020, 76, 461-465
2243301 CIF
HKL
Paper
C11 H15 N O2 SP -17.5347; 8.2581; 9.6157
77.876; 86.132; 69.682
548.56Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine
Acta Crystallographica Section E, 2020, 76, 452-455
2243302 CIF
Paper
C22 H22 O2 S2P b c a7.7418; 13.856; 36.197
90; 90; 90
3882.9Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten
Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol
Acta Crystallographica Section E, 2020, 76, 484-487
2243303 CIF
HKL
Paper
C10 H12 N8 O2C 1 2/c 123.473; 3.7262; 13.9102
90; 95.687; 90
1210.67Khotchasanthong, Kenika; Jittirattanakun, Siripak; Chainok, Kittipong
Crystal structure and Hirshfeld surface analysis of 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate
Acta Crystallographica Section E, 2020, 76, 473-476
2243304 CIF
HKL
Paper
C12 H9.14 Cl O S2P -17.3709; 7.5063; 12.4247
84.126; 76.694; 62.372
592.69Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael
Unexpected formation of a co-crystal containing the chalcone (<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one and the keto‒enol tautomer (<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol
Acta Crystallographica Section E, 2020, 76, 477-480
2243305 CIF
HKL
Paper
C13 H15 N3 O5 SP 1 21/c 19.2139; 8.8122; 18.3486
90; 104.521; 90
1442.22Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.
Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate
Acta Crystallographica Section E, 2020, 76, 481-483
2243307 CIF
HKL
Paper
C30 H28 Cl4 Co N6 O4I 41/a :29.2846; 9.2846; 38.069
90; 90; 90
3281.7Thippeswamy, B.; Suchetan, P. A.; Mahadevan, K. M.; Nagabhushana, H.; Vijayakumar, G. R.
Crystal structure and photoluminescent properties of bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate
Acta Crystallographica Section E, 2020, 76, 496-499
2243308 CIF
HKL
Paper
C11 H16 N2 OP n a 216.9683; 7.9683; 18.975
90; 90; 90
1053.6Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher
Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts
Acta Crystallographica Section E, 2020, 76, 488-495
2243309 CIF
HKL
Paper
C18 H20 N4 O7P -17.4365; 10.6276; 13.27
92.238; 97.057; 108.618
982.92Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher
Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts
Acta Crystallographica Section E, 2020, 76, 488-495
2243310 CIF
HKL
Paper
C17 H19 N5 O8P 1 21/n 18.7568; 6.6292; 34.024
90; 96.987; 90
1960.4Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher
Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts
Acta Crystallographica Section E, 2020, 76, 488-495
2243311 CIF
HKL
Paper
C18 H25 N3 O4P -16.259; 7.4549; 19.269
83.28; 84.74; 85.38
886.94Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher
Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts
Acta Crystallographica Section E, 2020, 76, 488-495
2243312 CIF
HKL
Paper
C7 H11 Cl3 N4 O3 ZnP 1 21/c 18.0932; 13.744; 12.429
90; 92.29; 90
1381.4El Hamdani, Hicham; El Amane, Mohamed; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure and Hirshfeld surface analysis of (C~7~H~9~N~4~O~2~)[ZnCl~3~(H~2~O)]
Acta Crystallographica Section E, 2020, 76, 506-509
2243313 CIF
HKL
Paper
C14 H36 Cl4 Cr2 N4 O6P -17.061; 8.674; 10.775
77.61; 88.2; 79.39
633.5Moon, Dohyun; Choi, Jong-Ha
Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data
Acta Crystallographica Section E, 2020, 76, 523-526
2243314 CIF
HKL
C6 H17 Mo2 N O12P 1 21 18.1775; 6.7722; 12.305
90; 99.664; 90
671.8Mirzaei, Masoud; Tahmasebi, Morteza; Mague, Joel T.
A redetermination of the crystal structure of the mannitol complex NH~4~[Mo~2~O~5~(C~6~H~11~O~6~)]·H~2~O: hydrogen-bonding scheme and Hirshfeld surface analysis
Acta Crystallographica Section E, 2020, 76, 518-522
2243315 CIF
HKL
Paper
C16 H22 N2 O3C 1 2/c 119.77; 9.477; 17.62
90; 105.78; 90
3177Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
Bis(4-hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptammonium) fumarate: a new crystalline form of miprocin
Acta Crystallographica Section E, 2020, 76, 514-517
2243316 CIF
HKL
Paper
C22 H24 F2 N4 Ni O9C 1 2/c 112.1175; 18.7705; 12.3246
90; 110.232; 90
2630.29Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4'-bipyridine
Acta Crystallographica Section E, 2020, 76, 500-505
2243317 CIF
HKL
Paper
C8 H8 N2 S2P 1 21/n 14.1027; 12.1789; 8.1014
90; 95.78; 90
402.74Assoumatine, Tokouré; Stoeckli-Evans, Helen
Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
Acta Crystallographica Section E, 2020, 76, 539-546
2243318 CIF
HKL
Paper
C12 H16 N2 S4C 1 2/c 121.1618; 7.0585; 9.5057
90; 94.47; 90
1415.55Assoumatine, Tokouré; Stoeckli-Evans, Helen
Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
Acta Crystallographica Section E, 2020, 76, 539-546
2243319 CIF
HKL
Paper
C8 H8 Ag N3 O3 S2P 1 2/n 13.8995; 6.3902; 20.5741
90; 93.121; 90
511.92Assoumatine, Tokouré; Stoeckli-Evans, Helen
Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
Acta Crystallographica Section E, 2020, 76, 539-546
2243320 CIF
HKL
Paper
C12 H16 Ag N3 O3 S4P 1 21/c 17.0777; 12.0654; 19.5725
90; 90.446; 90
1671.3Assoumatine, Tokouré; Stoeckli-Evans, Helen
Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
Acta Crystallographica Section E, 2020, 76, 539-546
2243321 CIF
HKL
Paper
C13 H16 Cl N OP -16.6286; 8.1569; 12.0061
96.803; 101.506; 98.511
621.73Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Divya Bharathi, M.; Anbalagan, G.
Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone
Acta Crystallographica Section E, 2020, 76, 534-538
2243322 CIF
HKL
C15 H20 Mo N3 O3 PP 1 21/c 19.7919; 14.5757; 12.114
90; 107.694; 90
1647.2Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.
Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)
Acta Crystallographica Section E, 2020, 76, 547-551
2243323 CIF
HKL
C18 H24 Mo N3 O5 PP 1 21/n 112.8674; 11.6366; 14.4655
90; 113.224; 90
1990.45Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.
Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)
Acta Crystallographica Section E, 2020, 76, 547-551
2243324 CIF
HKL
Paper
C11 H9 N3 O SP 1 21/n 112.06; 4.4531; 19.9528
90; 102.228; 90
1047.24Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.
Intramolecular 1,5-S···N σ-hole interaction in (<i>E</i>)-<i>N</i>'-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide
Acta Crystallographica Section E, 2020, 76, 557-561
2243325 CIF
HKL
Paper
C5 H10 O3 SP 1 21/c 116.094; 8.8747; 10.558
90; 105.654; 90
1452.1Mawhinney, Thomas P.; Li, Yiyi; Chance, Deborah L.; Kelley, Steven P.; Mossine, Valeri V.
Crystal structure of (<i>R</i>,<i>S</i>)-2-hydroxy-4-(methylsulfanyl)butanoic acid
Acta Crystallographica Section E, 2020, 76, 562-566
2243326 CIF
HKL
Paper
C6 H11 B F4 N2 O2 SP 1 21/n 18.1049; 11.6979; 12.081
90; 90.069; 90
1145.4Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig
Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates
Acta Crystallographica Section E, 2020, 76, 552-556
2243327 CIF
HKL
Paper
C18 H19 B F4 N2 O2 SP c 21 b7.9117; 11.476; 20.9659
90; 90; 90
1903.59Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig
Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates
Acta Crystallographica Section E, 2020, 76, 552-556
2243328 CIF
HKL
Paper
C17 H12 O4P 1 21/n 14.2951; 16.7714; 18.0537
90; 95.941; 90
1293.51Zazouli, Sofia; Chigr, Mohammed; Jouaiti, Ahmed; Kyritsakas, Nathalie; Ketatni, El Mostafa
Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione
Acta Crystallographica Section E, 2020, 76, 576-580
2243329 CIF
HKL
Paper
C9 H11 N3 O5 SP -17.1676; 9.1175; 10.1554
66.174; 80.225; 71.803
576.01Kansiz, Sevgi; Faizi, Md. Serajul Haque; Aydin, Tansu Merve; Dege, Necmi; Icbudak, Hasan; Golenya, Irina A.
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide
Acta Crystallographica Section E, 2020, 76, 572-575
2243330 CIF
HKL
Paper
C11 H14 N2 OP 1 21/c 19.406; 8.8436; 12.144
90; 100.601; 90
992.9Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
Norpsilocin: freebase and fumarate salt
Acta Crystallographica Section E, 2020, 76, 589-593
2243331 CIF
HKL
Paper
C13 H16 N2 O3P -17.7363; 9.7146; 9.7854
105.524; 110.554; 97.167
643.69Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
Norpsilocin: freebase and fumarate salt
Acta Crystallographica Section E, 2020, 76, 589-593
2243332 CIF
HKL
Paper
C12 H13 N O3 SP 1 21/n 18.3252; 17.1485; 9.3505
90; 116.249; 90
1197.26Agnimonhan, Finagnon Hyacinthe; Bendeif, El-Eulmi; Akanni, Léon Ahoussi; Gbaguidi, Ahokannou Fernand; Martin, Eddy; Wenger, Emmanuel; Lecomte, Claude
Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid
Acta Crystallographica Section E, 2020, 76, 581-584
2243333 CIF
HKL
Paper
C32 H37 N O4P 1 21/n 110.578; 18.419; 14.398
90; 108.791; 90
2655.73Suresh Babu, N.; Sughanya, V.; Dhandapani, A.; Kalaivanan, R.
Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
Acta Crystallographica Section E, 2020, 76, 585-588
2243334 CIF
HKL
Paper
C9 H10 Cl N O SP b c a9.6659; 14.0682; 14.4869
90; 90; 90
1970Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana
Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide
Acta Crystallographica Section E, 2020, 76, 594-598
2243335 CIF
HKL
Paper
C31 H29 Ga N4 O3P 1 21/c 113.359; 20.413; 9.747
90; 98.326; 90
2630Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.
Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate
Acta Crystallographica Section E, 2020, 76, 615-620
2243336 CIF
HKL
Paper
C27.5 H26.25 Ga N3.75 O3P -110.9053; 14.1157; 16.2324
93.915; 103.12; 97.6
2399.6Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.
Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate
Acta Crystallographica Section E, 2020, 76, 615-620
2243337 CIF
HKL
Paper
C27 H26 Cl2 In N3 O3P 1 21/c 110.0704; 16.2514; 16.1749
90; 99.13; 90
2613.62Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.
Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate
Acta Crystallographica Section E, 2020, 76, 615-620
2243338 CIF
HKL
Paper
C18 H16 N2 O2P b c a12.7245; 9.5887; 23.7276
90; 90; 90
2895Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol
Acta Crystallographica Section E, 2020, 76, 605-610
2243339 CIF
HKL
C18 H28 I Ir N4C 1 2/m 126.6519; 8.307; 9.7852
90; 100.241; 90
2131.9Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.
Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide
Acta Crystallographica Section E, 2020, 76, 611-614
2243340 CIF
HKL
C22 H36 I Ir N4P c c n10.6041; 12.3058; 18.2513
90; 90; 90
2381.65Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.
Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide
Acta Crystallographica Section E, 2020, 76, 611-614
2243341 CIF
HKL
Paper
C14 H9 I2 NC 1 2/c 124.292; 4.8348; 24.8761
90; 116.272; 90
2619.8Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun
Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes
Acta Crystallographica Section E, 2020, 76, 438-442
2243342 CIF
HKL
C14 H9 I2 NP -17.3179; 8.1089; 11.3252
97.05; 92.059; 95.579
663.02Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun
Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes
Acta Crystallographica Section E, 2020, 76, 438-442
2243343 CIF
HKL
Paper
C18 H18 Cl N3 O2 SP 1 21/a 18.9995; 16.7778; 12.3595
90; 98.892; 90
1843.8Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman
Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate
Acta Crystallographica Section E, 2020, 76, 443-445
2243344 CIF
HKL
Paper
C19 H16 N2 O3P 1 21/n 110.55; 9.3679; 16.5606
90; 93.886; 90
1632.9Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine
Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses
Acta Crystallographica Section E, 2020, 76, 432-437
2243345 CIF
HKL
Paper
C19 H16 N2 O3P 1 21/c 110.5976; 15.55; 10.3731
90; 109.12; 90
1615.11Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine
Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses
Acta Crystallographica Section E, 2020, 76, 432-437
2243346 CIF
HKL
Paper
C22 H48 N4 Ni O5 Si2P 1 21/c 113.033; 12.877; 9.028
90; 101.31; 90
1485.7Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.
Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation
Acta Crystallographica Section E, 2020, 76, 446-451
2243347 CIF
HKL
Paper
C22 H49 Cl N4 Ni O9 Si2P -19.3815; 12.9009; 14.7604
99.309; 100.343; 99.232
1700.9Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.
Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation
Acta Crystallographica Section E, 2020, 76, 446-451
2243348 CIF
HKL
Paper
C98 H126 Ir N3 O3P -116.488; 17.0003; 17.0288
91.9252; 97.8137; 117.349
4175.2M'hamedi, Ahmed; Batsanov, Andrei S.
Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
Acta Crystallographica Section E, 2020, 76, 392-399
2243349 CIF
HKL
Paper
C121.5 H143.6 Cl2 F4 Ir2 N4P -112.2744; 17.6132; 25.3966
105.119; 93.787; 90.779
5286.2M'hamedi, Ahmed; Batsanov, Andrei S.
Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
Acta Crystallographica Section E, 2020, 76, 392-399
2243350 CIF
HKL
Paper
C131 H164 Ir2 N6 O6P 1 21/c 138.976; 21.615; 28.759
90; 108.92; 90
22919M'hamedi, Ahmed; Batsanov, Andrei S.
Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
Acta Crystallographica Section E, 2020, 76, 392-399
2243351 CIF
HKL
Paper
C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2P -111.8734; 14.2267; 16.6076
110.386; 106.524; 96.303
2452M'hamedi, Ahmed; Batsanov, Andrei S.
Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
Acta Crystallographica Section E, 2020, 76, 392-399
2243352 CIF
HKL
Paper
C19 H16 Cl N O3 SP 1 21/c 111.6882; 9.0903; 16.9533
90; 105.105; 90
1739.04Sebbar, Ghizlane; Mohamed, Ellouz; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Essassi, El Mokhtar; Belkadi, Bouchra
Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetate
Acta Crystallographica Section E, 2020, 76, 629-636
2243353 CIF
HKL
Paper
C22 H31 N O3P 1 21/c 117.6928; 13.2512; 8.5916
90; 90.184; 90
2014.3Bouzian, Younos; Kansiz, Sevgi; Mahi, Lhassane; Ahabchane, Noureddine Hamou; Mague, Joel T.; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Acta Crystallographica Section E, 2020, 76, 642-645
2243354 CIF
HKL
Paper
C18 H21 N O3P 1 21/c 111.4982; 5.0086; 26.724
90; 97.683; 90
1525.22Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo
Syntheses and crystal structures of two piperine derivatives
Acta Crystallographica Section E, 2020, 76, 646-650
2243355 CIF
HKL
Paper
C16 H17 N O3P b c a11.8747; 7.2485; 30.392
90; 90; 90
2616Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo
Syntheses and crystal structures of two piperine derivatives
Acta Crystallographica Section E, 2020, 76, 646-650
2243356 CIF
HKL
Paper
C21 H23 F2 N OP 1 21/c 15.4945; 25.0707; 12.9811
90; 93.497; 90
1784.83Anitha, K.; Sivakumar, S.; Arulraj, R.; Rajkumar, K.; Kaur, Manpreet; Jasinski, Jerry P.
Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one
Acta Crystallographica Section E, 2020, 76, 651-655
2243357 CIF
HKL
Paper
C14 H17 N3 O3P 1 21/c 112.9328; 11.2551; 9.8092
90; 106.245; 90
1370.82Sylla-Gueye, Rokhaya; Thiam, Ibrahima Elhadji; Orton, James; Coles, Simon; Gaye, Mohamed
Crystal structure of <i>N</i>'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate
Acta Crystallographica Section E, 2020, 76, 660-663
2243358 CIF
HKL
Paper
C18 H16 N2 O3 SP 1 21/n 111.8865; 5.1298; 28.2942
90; 93.667; 90
1721.72Nguyen Tien, Cong; Nguyen Tan, Quang; Pham Duc, Dung; Tran Hoang, Phuong; Nguyen Dang, Dat; Truong Minh, Luong; Van Meervelt, Luc
Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
Acta Crystallographica Section E, 2020, 76, 668-672
2243359 CIF
HKL
Paper
C24 H30 Br2 N4 O2P -16.3291; 9.8911; 21.133
76.48; 84.965; 73.891
1235.4Jabri, Zainab; Jarmoni, Karim; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Kandri Rodi, Youssef; Misbahi, Khalid
Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
Acta Crystallographica Section E, 2020, 76, 677-682
2243360 CIF
HKL
Paper
C17 H16 N2 O3 SP -17.9782; 8.1711; 12.6661
92.214; 93.423; 114.274
749.55Izuogu, David Chukwuma; Asegbeloyin, Jonnie Niyi; Jotani, Mukesh M.; Tiekink, Edward R. T.
2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 697-702
2243361 CIF
HKL
Paper
C23 H22 B N O2P c a 2117.854; 11.5361; 18.5366
90; 90; 90
3817.9Gubler, Joël; Chen, Peter
Structure of a push‒pull olefin prepared by ynamine hydroboration with a borandiol ester
Acta Crystallographica Section E, 2020, 76, 710-714
2243362 CIF
HKL
Paper
C44 H52 N8 Na4 O4P -110.9545; 11.8785; 18.8415
105.266; 97.446; 106.12
2217.2Gajecki, Leah; Twamley, Brendan; Berg, David J.
Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)
Acta Crystallographica Section E, 2020, 76, 703-709
2243363 CIF
HKL
Paper
C33 H39 N6 O3 YbP 1 21/n 110.9428; 9.8253; 28.6089
90; 94.722; 90
3065.5Gajecki, Leah; Twamley, Brendan; Berg, David J.
Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)
Acta Crystallographica Section E, 2020, 76, 703-709
2243364 CIF
HKL
Paper
C28 H21 Cl N2 O3P -19.909; 10.193; 12.024
90.94; 106.27; 92.75
1163.9Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243365 CIF
HKL
Paper
C28 H21 Cl N2 O3P -18.9959; 9.738; 13.637
95.901; 94.122; 95.959
1177.8Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243366 CIF
HKL
Paper
C32 H24 N2 O3P -18.8615; 10.4973; 13.6588
79.006; 89.412; 80.971
1231.54Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243367 CIF
HKL
Paper
C26 H21 N5 O2P -19.8432; 11.7441; 12.3005
114.12; 111.139; 96.537
1152.06Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243368 CIF
HKL
Paper
C25 H17 Cl2 N5 O2C 1 2/c 128.1916; 8.0537; 22.0446
90; 109.07; 90
4730.5Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243369 CIF
HKL
Paper
C29 H21 N5 O2P 1 21/n 19.846; 22.4303; 11.049
90; 104.157; 90
2366Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples
Acta Crystallographica Section E, 2020, 76, 683-691
2243370 CIF
HKL
Paper
C25 H20 O2P 1 21/n 110.2365; 9.7989; 19.3759
90; 103.333; 90
1891.14Naghiyev, Farid N.; Akkurt, Mehmet; Askerov, Rizvan K.; Mamedov, Ibrahim G.; Rzayev, Rovnag M.; Chyrka, Taras; Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one
Acta Crystallographica Section E, 2020, 76, 720-723
2243371 CIF
HKL
Paper
C25 H24 N2 O3P 1 21/n 110.6878; 8.9088; 21.9503
90; 99.049; 90
2064Ahmed, Adeeba; Ahmad, Aiman; Ahmad, Musheer; Kalibabchuk, Valentina A.
Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate
Acta Crystallographica Section E, 2020, 76, 728-731
2243372 CIF
HKL
Paper
C22 H15 F6 N O4P 1 21/c 125.5453; 13.4125; 11.8879
90; 91.644; 90
4071.4Sugiyama, Haruki
Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals
Acta Crystallographica Section E, 2020, 76, 742-746
2243373 CIF
HKL
Paper
C19 H20 F6 N2 O5P b c a13.2518; 12.1773; 25.8419
90; 90; 90
4170.14Sugiyama, Haruki
Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals
Acta Crystallographica Section E, 2020, 76, 742-746
2243374 CIF
HKL
Paper
C28 H20 N2 O2P 1 21/n 19.4693; 8.7384; 24.5049
90; 91.792; 90
2026.7Ahmed, Ruby; Doğan, Onur Erman; Ali, Farman; Ahmad, Musheer; Ahmed, Adeeba; Dege, Necmi; Golenia, Irina A.
Crystal structure and Hirshfeld surface analysis of 2-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate
Acta Crystallographica Section E, 2020, 76, 724-727
2243375 CIF
HKL
C23 H28 F3 N OP 1 21/c 115.6783; 15.788; 8.7054
90; 91.217; 90
2154.4Kan Kaynar, Nihal; Tanak, Hasan; Macit, Mustafa; Özdemir, Namık
Crystal structure and DFT computational studies of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol
Acta Crystallographica Section E, 2020, 76, 732-735
2243376 CIF
HKL
Paper
C35 H34 Cl Co N3 P S4P -19.0954; 13.4319; 14.7905
97.074; 94.68; 107.354
1698.1Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E.
A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane)
Acta Crystallographica Section E, 2020, 76, 736-741
2243377 CIF
HKL
Paper
C43 H55 Cu5 Mn N9 O19P 1 21/n 119.0669; 14.2943; 19.345
90; 95.1476; 90
5251.2Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.
Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: <i>cis</i>-diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate
Acta Crystallographica Section E, 2020, 76, 747-751
2243378 CIF
HKL
Paper
C19 H17 Cl N4 O2P 1 21/n 110.5673; 8.0182; 21.2318
90; 95.282; 90
1791.35Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr
Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
Acta Crystallographica Section E, 2020, 76, 756-760
2243379 CIF
HKL
Paper
C9 H9 N O4P 21 21 214.9279; 10.635; 15.8788
90; 90; 90
832.18Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert
Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide
Acta Crystallographica Section E, 2020, 76, 761-764
2243380 CIF
HKL
Paper
C7 H12 F5 N6 O VP 1 21/n 16.5915; 12.1969; 15.5669
90; 97.617; 90
1240.47Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Kostiantyn V.
Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)
Acta Crystallographica Section E, 2020, 76, 780-784
2243381 CIF
HKL
Paper
C24 H18 N6 O3P 1 21/n 18.2807; 14.1554; 17.502
90; 98.92; 90
2026.71Senior, Levi; Linden, Anthony
The missing crystal structure in the series of <i>N</i>,<i>N</i>',<i>N</i>''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative
Acta Crystallographica Section E, 2020, 76, 776-779
2243382 CIF
HKL
Paper
C14 H16 Cl4 Cu2 N4P -17.7054; 7.724; 8.5606
103.659; 98.803; 110.273
448.74Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Melnyk, Andrii K.; Skelton, Brian W.
Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine
Acta Crystallographica Section E, 2020, 76, 790-793
2243383 CIF
HKL
Paper
C17 H14 N2 OP 1 21/c 19.071; 12.0526; 24.612
90; 95.999; 90
2676.1Daouda, Ballo; Tuo, Nanou Tiéba; Kangah, Niameke Jean-Baptiste; Hökelek, Tuncer; Kodjo, Charles Guillaume; Retailleau, Pascal; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)phenol
Acta Crystallographica Section E, 2020, 76, 798-802
2243384 CIF
HKL
Paper
C14 H16P 1 21/c 111.3214; 6.7426; 14.9478
90; 107.234; 90
1089.82Domasevitch, Kostiantyn V.; Degtyarenko, Anna S.
Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
Acta Crystallographica Section E, 2020, 76, 807-810
2243385 CIF
HKL
C17 H27 N O2P 1 21/c 16.8817; 28.249; 8.1369
90; 99.649; 90
1559.4Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen
The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine
Acta Crystallographica Section E, 2020, 76, 794-797
2243386 CIF
HKL
Paper
C16 H14 Cl2 F N3P 21 21 216.073; 15.9782; 16.386
90; 90; 90
1590.03Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
Acta Crystallographica Section E, 2020, 76, 811-815
2243387 CIF
HKL
Paper
C18 H22 N2 O4 SP 1 21 14.7274; 17.782; 10.734
90; 98.994; 90
891.23Gelbrich, Thomas; Kahlenberg, Volker; Adamer, Verena; Nerdinger, Sven; Griesser, Ulrich J.
Febuxostat ethanol monosolvate
Acta Crystallographica Section E, 2020, 76, 816-819
2243388 CIF
HKL
Paper
C15 H19 N O5 VC 1 2/c 17.882; 15.2092; 13.9871
90; 103.367; 90
1631.33Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen
Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands
Acta Crystallographica Section E, 2020, 76, 826-830
2243389 CIF
HKL
Paper
C16 H18 N2 O5 VC 1 2/c 19.193; 13.508; 13.3651
90; 99.03; 90
1639.1Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen
Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands
Acta Crystallographica Section E, 2020, 76, 826-830
2243390 CIF
HKL
Paper
C16 H21 N O6 VP 1 21/n 19.6619; 11.9922; 15.344
90; 94.651; 90
1772Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen
Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands
Acta Crystallographica Section E, 2020, 76, 826-830
2243391 CIF
HKL
Paper
C48 H20 Cu F20 O10 S3P 1 21/c 17.7343; 46.8973; 13.258
90; 99.211; 90
4746.9Habuka, Yusuke; Takeuchi, Emily Ami; Hori, Akiko
Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethylenedioxythiophene solvated bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)
Acta Crystallographica Section E, 2020, 76, 820-825
2243392 CIF
HKL
Paper
C17 H17 F N4 O7P 1 21/c 110.6829; 13.1701; 13.5563
90; 108.97; 90
1803.71Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher
Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 841-847
2243393 CIF
HKL
Paper
C12 H15 F N2 O4P 1 21/c 117.0606; 5.782; 12.5815
90; 102.761; 90
1210.44Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher
Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 841-847
2243394 CIF
HKL
Paper
C14 H21 F N2 O7P 21 21 217.0961; 7.4967; 30.757
90; 90; 90
1636.19Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher
Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2020, 76, 841-847
2243395 CIF
HKL
Paper
C60 H66.01 Cl2 Mn4 N10 Na2 O22P -112.0423; 12.3722; 12.6875
102.839; 111.628; 90.722
1704Zaleski, Curtis M.; Zeller, Matthias
Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O
Acta Crystallographica Section E, 2020, 76, 848-856
2243396 CIF
HKL
C64 H72.44 Cl3 Mn5 N9 Na O27.72P 1 n 114.1955; 16.3349; 16.6144
90; 94.235; 90
3842.1Zaleski, Curtis M.; Zeller, Matthias
Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O
Acta Crystallographica Section E, 2020, 76, 848-856
2243397 CIF
HKL
Paper
C14 H12 Cl N2 O3P -17.7817; 9.5743; 11.1516
113.721; 90.064; 112.397
691.47Tan, Sang Loon; Tiekink, Edward R. T.
Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid
Acta Crystallographica Section E, 2020, 76, 870-876
2243398 CIF
HKL
Paper
C15 H11.15 N O5.07C 1 2/c 126.225; 7.9955; 13.772
90; 111.08; 90
2694.5Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.
Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers
Acta Crystallographica Section E, 2020, 76, 857-861
2243399 CIF
HKL
C15 H11 N O5P 1 21/c 112.209; 14.307; 7.418
90; 92.815; 90
1294.2Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.
Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers
Acta Crystallographica Section E, 2020, 76, 857-861
2243400 CIF
HKL
Paper
C21 H18P b c a12.9844; 11.9583; 19.3729
90; 90; 90
3008.06Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.
Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene
Acta Crystallographica Section E, 2020, 76, 896-899
2243401 CIF
HKL
C30 H24 O2P 21 21 217.3431; 11.5468; 25.7555
90; 90; 90
2183.79Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.
Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene
Acta Crystallographica Section E, 2020, 76, 896-899
2243402 CIF
HKL
Paper
C31 H40 Cl F N4 O7P 1 21/n 110.7716; 7.4153; 38.175
90; 92.311; 90
3046.7George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G.
Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid
Acta Crystallographica Section E, 2020, 76, 884-888
2243403 CIF
HKL
Paper
C22 H25 N O SP -18.8581; 9.183; 13.021
106.474; 109.398; 93.383
944.2Sebbar, Ghizlane; Hni, Brahim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Belkadi, Bouchra; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (<i>Z</i>)-4-hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one
Acta Crystallographica Section E, 2020, 76, 889-895
2243404 CIF
HKL
C30 H30 N4 O6P 1 21/n 116.326; 8.0566; 20.565
90; 104.497; 90
2618.8Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin
Stereochemistry of the methylidene-bridged quinazoline-isoquinoline alkaloid 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate
Acta Crystallographica Section E, 2020, 76, 914-919
2243405 CIF
HKL
Paper
C19 H17 N O5P 1 21/c 19.3581; 10.5306; 17.0141
90; 91.967; 90
1675.69Muslim, Mohd; Ali, Arif; Kamaal, Saima; Ahmad, Musheer; Afzal, Mohd; Plutenko, Maksym O.
Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate
Acta Crystallographica Section E, 2020, 76, 905-908
2243406 CIF
HKL
Paper
C14 H14 Mn N4 O4P 1 21/n 111.5171; 4.4212; 13.9752
90; 104.698; 90
688.32Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.
Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer
Acta Crystallographica Section E, 2020, 76, 909-913
2243407 CIF
HKL
Paper
C72 H90 N8 Ni2 O11 Si2C 1 2/c 125.39; 7.3865; 18.2424
90; 98.161; 90
3386.6Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.
Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)
Acta Crystallographica Section E, 2020, 76, 929-932
2243408 CIF
HKL
C51 H42 O5P 1 21/c 111.3654; 14.243; 25.168
90; 91.207; 90
4073.2Meng, Xiang-Zhen; Cheng, Dong
Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate
Acta Crystallographica Section E, 2020, 76, 954-957
2243409 CIF
HKL
Paper
C24 H20 N2 O6P 1 21/n 17.9074; 12.4794; 10.6248
90; 102.394; 90
1024Bogdanov, Georgii; Oskolkov, Evgenii; Bustos, Jenna; Glebov, Viktor; Tillotson, John P.; Timofeeva, Tatiana V.
Molecular and crystal structure, optical properties and DFT studies of 1,4-dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene
Acta Crystallographica Section E, 2020, 76, 940-943
2243410 CIF
Paper
C6 H7 Br N2 O3P 1 21/c 19.7123; 23.4964; 7.6264
90; 97.052; 90
1727.2Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu
Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate
Acta Crystallographica Section E, 2020, 76, 973-976
2243411 CIF
HKL
Paper
C14 H26 O4P 1 21 17.0008; 5.5112; 18.544
90; 100.155; 90
704.3Geburtig, Felix; Vill, Volkmar
2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
Acta Crystallographica Section E, 2020, 76, 924-928
2243412 CIF
HKL
C16 H30 O4P 1 21 16.9892; 5.4888; 20.8041
90; 91.302; 90
797.89Geburtig, Felix; Vill, Volkmar
2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
Acta Crystallographica Section E, 2020, 76, 924-928
2243413 CIF
HKL
C18 H34 O4P 1 21 17.025; 5.4674; 23.377
90; 97.051; 90
891.08Geburtig, Felix; Vill, Volkmar
2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
Acta Crystallographica Section E, 2020, 76, 924-928
2243414 CIF
HKL
C20 H38 O4P 1 21 17.04; 5.438; 25.56
90; 91.914; 90
978Geburtig, Felix; Vill, Volkmar
2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
Acta Crystallographica Section E, 2020, 76, 924-928
2243415 CIF
HKL
Paper
C13 H19 N O8P -16.8291; 7.867; 15.814
100.607; 99.011; 105.054
787.5Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.
1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
Acta Crystallographica Section E, 2020, 76, 967-972
2243416 CIF
HKL
Paper
C23 H20 N2 O SP 1 21/c 119.1636; 6.0482; 17.023
90; 104.37; 90
1911.33Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.
Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine
Acta Crystallographica Section E, 2020, 76, 920-923
2243417 CIF
HKL
Paper
C5 H6 Cd N4 O5 SP 1 21/c 19.3; 7.9798; 13.2586
90; 106.872; 90
941.6Jiajaroen, Suwadee; Chainok, Kittipong
Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand
Acta Crystallographica Section E, 2020, 76, 958-961
2243418 CIF
HKL
Paper
C12 H16 N2 O3 SP -17.1608; 8.8771; 10.0728
96.815; 96.057; 95.99
627.78Tan, Sang Loon; Tiekink, Edward R. T.
2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 933-939
2243419 CIF
HKL
Paper
C20 H21 N3 O3P 1 21/c 116.212; 5.9584; 19.45
90; 110.537; 90
1759.4Taia, Abdelmaoujoud; Essaber, Mohamed; Aatif, Abdeljalil; Chkirate, Karim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira
Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole
Acta Crystallographica Section E, 2020, 76, 962-966
2243420 CIF
HKL
Paper
Co4 H O13 P3 SrP 21 21 215.1245; 12.0491; 15.7118
90; 90; 90
970.13Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Aride, Jilali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure of SrCo~4~(OH)(PO~4~)~3~, a new hydroxyphosphate
Acta Crystallographica Section E, 2020, 76, 1022-1026
2243421 CIF
HKL
C16 H24 Br4 Cu2 N2 S6P -17.209; 8.1422; 12.3904
71.842; 74.702; 72.694
647.93Assoumatine, Tokouré; Stoeckli-Evans, Helen
Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane
Acta Crystallographica Section E, 2020, 76, 984-989
2243422 CIF
HKL
C16 H24 Cu4 I4 N2 S6P -17.7713; 8.9456; 11.2464
106.839; 104.644; 93.412
716.53Assoumatine, Tokouré; Stoeckli-Evans, Helen
Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane
Acta Crystallographica Section E, 2020, 76, 984-989
2243423 CIF
HKL
Paper
C7 H5 F N4 SC 1 2/c 123.5593; 9.2849; 7.7927
90; 104.009; 90
1653.92Askerov, Rizvan K.; Maharramov, Abel M.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Osmanov, V. K.; Borisov, A. V.
Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2020, 76, 1007-1011
2243424 CIF
HKL
Paper
C35 H36 N4 O3P 1 21/c 19.3903; 26.8178; 11.5639
90; 101.635; 90
2852.3Suramitr, Songwut; Teanwarawat, Jitpinan; Ithiapa, Nuttapong; Wattanathana, Worawat; Suramitr, Anwaraporn
Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B‒salicylaldehyde Schiff base derivative
Acta Crystallographica Section E, 2020, 76, 1027-1032
2243425 CIF
HKL
Paper
C20 H24 Cl N O4 PtP -18.3146; 8.6714; 14.5827
90.534; 104.376; 101.135
997.49Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc
Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives
Acta Crystallographica Section E, 2020, 76, 1012-1017
2243426 CIF
HKL
Paper
C21 H26 Cl N O4 PtP -18.36089; 9.12717; 14.5582
94.9089; 102.277; 100.454
1058.58Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc
Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives
Acta Crystallographica Section E, 2020, 76, 1012-1017
2243427 CIF
HKL
Paper
C21 H24 Cl N O6 PtP -17.8746; 9.7566; 15.0004
95.782; 102.874; 93.843
1113.02Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc
Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives
Acta Crystallographica Section E, 2020, 76, 1012-1017
2243428 CIF
HKL
Paper
C13 H21 N O2 SP 1 c 112.87828; 6.88418; 16.208
90; 108.151; 90
1365.44Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide
Acta Crystallographica Section E, 2020, 76, 1018-1021
2243429 CIF
HKL
Paper
C43 H88 K2 N6 O14P n a 2121.1326; 8.547; 29.9188
90; 90; 90
5403.9Chung, Amanda B.; Ziller, Joseph W.; Evans, William J.
Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal
Acta Crystallographica Section E, 2020, 76, 1047-1050
2243430 CIF
HKL
Paper
C16 H14 Cl3 N3P -19.7515; 9.8203; 26.6696
92.338; 91.212; 94.048
2544.7Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mukhtarova, Sevinc H.; Suleymanova, Gulnar T.; Toze, Flavien A. A.
Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
Acta Crystallographica Section E, 2020, 76, 1033-1037
2243431 CIF
HKL
Paper
C21 H21 N7 O4 SP -18.6313; 10.8378; 13.384
66.645; 79.287; 85.151
1129.3Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates
Acta Crystallographica Section E, 2020, 76, 1057-1061
2243432 CIF
HKL
Paper
C22 H23 N7 O4 SP -18.5631; 11.1242; 13.5632
70.244; 76.086; 84.058
1179.92Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates
Acta Crystallographica Section E, 2020, 76, 1057-1061
2243433 CIF
HKL
Paper
C10 H28 Cu N2 O8P 1 21/n 17.1195; 12.3172; 19.859
90; 91.16; 90
1741.12Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Iskenderov, Turganbay S.
Crystal structure and Hirshfeld surface analysis of one-dimensional copper(II) coordination polymer incorporating succinate and tetramethylethylenediamine ligands
Acta Crystallographica Section E, 2020, 76, 1038-1041
2243434 CIF
HKL
Paper
C20 H20 N4 O3P 1 21/c 111.4312; 9.3013; 18.737
90; 104.695; 90
1927Caracelli, Ignez; Zukerman-Schpector, Julio; Kwong, Huey Chong; Tiekink, Edward R. T.
Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry
Acta Crystallographica Section E, 2020, 76, 1051-1056
2243435 CIFC12 H14 O3P b c n13.0747; 10.9656; 7.5822
90; 90; 90
1087.07Fortes, A. Dominic
Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion
Acta Crystallographica Section E, 2020, 76, 1062-1069
2243436 CIFC12 H14 O3P b c n13.1334; 10.6781; 7.6125
90; 90; 90
1067.57Fortes, A. Dominic
Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion
Acta Crystallographica Section E, 2020, 76, 1062-1069
2243437 CIFC12 H14 O3P b c n12.9747; 10.5449; 7.48
90; 90; 90
1023.39Fortes, A. Dominic
Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion
Acta Crystallographica Section E, 2020, 76, 1062-1069
2243438 CIF
HKL
Paper
C10 H15 N O2 SC 1 c 115.9353; 10.3526; 14.8486
90; 115.135; 90
2217.7Stenfors, Brock A.; Collins, Rachel C.; Duran, Jonah R. J.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
Crystal structure of 4-methyl-<i>N</i>-propylbenzenesulfonamide
Acta Crystallographica Section E, 2020, 76, 1070-1074
2243439 CIF
HKL
Paper
C23 H24 N2 O9C 1 2/c 123.6396; 8.2906; 24.7683
90; 110.013; 90
4561.13Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.
4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
Acta Crystallographica Section E, 2020, 76, 1080-1086
2243440 CIF
HKL
Paper
C27 H28 N2 O SP 1 21/c 122.927; 5.9315; 17.191
90; 97.734; 90
2316.6Sheakh Mohamad, Ropak A.; Aziz, Hashim J.; Hamad, Wali M.
Crystal structure and Hirshfeld surface analysis of 4-{[(<i>E</i>)-4-(heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine
Acta Crystallographica Section E, 2020, 76, 1092-1095
2243441 CIF
HKL
Paper
C15 H15 N OP 1 c 113.8433; 7.0774; 6.2142
90; 95.517; 90
606.01Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf
Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol
Acta Crystallographica Section E, 2020, 76, 1075-1079
2243442 CIF
HKL
C14 H18 O8P -18.5628; 9.6623; 9.9767
112.534; 94.744; 97.999
746.6Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen
The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid
Acta Crystallographica Section E, 2020, 76, 1101-1106
2243443 CIF
HKL
Paper
C16 H14 N6 O12 ZnP b c a10.26799; 18.26557; 21.67365
90; 90; 90
4064.91Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz
Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine
Acta Crystallographica Section E, 2020, 76, 1113-1116
2243444 CIF
HKL
Paper
C21 H18 O7P 21 21 217.4958; 12.422; 20.325
90; 90; 90
1892.5Leepasert, Theerachart; Saparpakorn, Patchreenart; Chainok, Kittipong; Duangthongyou, Tanwawan
Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate
Acta Crystallographica Section E, 2020, 76, 1096-1100
2243445 CIF
HKL
C17 H17 Cl2 N3P -19.5967; 9.6767; 10.8043
114.162; 109.93; 90.917
846.3Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
Acta Crystallographica Section E, 2020, 76, 1122-1125
2243446 CIF
HKL
C12 H12 O4P b c a12.7875; 11.3732; 14.3637
90; 90; 90
2089Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen
Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate
Acta Crystallographica Section E, 2020, 76, 1107-1112
2243447 CIF
HKL
C13 H12 Br Cl3 O4P 1 21/c 111.7655; 20.464; 6.7332
90; 90.161; 90
1621.1Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen
Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate
Acta Crystallographica Section E, 2020, 76, 1107-1112
2243448 CIF
HKL
Paper
C15 H8 N2 S5P -16.4976; 9.5593; 13.1962
80.576; 82.312; 86.288
800.55Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel
Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate
Acta Crystallographica Section E, 2020, 76, 1126-1130
2243449 CIF
HKL
Paper
C15 H8 N2 S5P b c n3.9458; 11.434; 33.366
90; 90; 90
1505.3Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel
Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate
Acta Crystallographica Section E, 2020, 76, 1126-1130
2243450 CIF
HKL
Paper
C13 H9 I N2 O3P n a 2112.8022; 24.4556; 4.1459
90; 90; 90
1298.02Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol
Acta Crystallographica Section E, 2020, 76, 1146-1149
2243451 CIF
HKL
Paper
C17 H17 N O5 S2P -15.05866; 12.2617; 15.1009
106.149; 96.446; 100.884
869.944Tan, Sang Loon; Tiekink, Edward R. T.
2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 1150-1157
2243452 CIF
HKL
Paper
Cu4 H8 O11 SP 1 n 17.84; 6.34; 9.768
90; 107.32; 90
463.51Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy
Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator
Acta Crystallographica Section E, 2020, 76, 1136-1138
2243453 CIF
HKL
Paper
C10 H9 F3 O3P 1 21/n 110.5916; 9.2081; 20.993
90; 103.304; 90
1992.47Savich, Carolyn Z.; Tanski, Joseph M.
Crystallographic and spectroscopic characterization of racemic Mosher's Acid
Acta Crystallographica Section E, 2020, 76, 1143-1145
2243454 CIF
HKL
Paper
C24 H15 Br Mn N3 O3P 1 21/c 111.663; 11.6691; 15.8892
90; 103.077; 90
2106.38Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai
Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand
Acta Crystallographica Section E, 2020, 76, 1139-1142
2243455 CIF
HKL
Paper
C23 H15 Br Mn N3 O2P 1 21/c 110.497; 14.123; 13.504
90; 96.767; 90
1988Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai
Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand
Acta Crystallographica Section E, 2020, 76, 1139-1142
2243456 CIF
HKL
Paper
C18 H14 Fe O3P 1 21/c 117.1332; 7.4478; 11.0345
90; 105.758; 90
1355.14Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.
Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide
Acta Crystallographica Section E, 2020, 76, 1163-1167
2243457 CIF
HKL
C18 H14 Fe O2C 1 2/c 135.4613; 5.6873; 13.1523
90; 100.202; 90
2610.61Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.
Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide
Acta Crystallographica Section E, 2020, 76, 1163-1167
2243458 CIF
HKL
Paper
C6 H8 O2 SP b c a9.286; 11.4809; 12.6469
90; 90; 90
1348.3Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.
Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one
Acta Crystallographica Section E, 2020, 76, 1158-1162
2243459 CIF
HKL
Paper
C5 H6 O2 SP 1 21/c 14.1054; 22.9727; 6.1928
90; 103.728; 90
567.37Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.
Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one
Acta Crystallographica Section E, 2020, 76, 1158-1162
2243460 CIF
HKL
Paper
C27 H34 N4 O5 SP 1 21/n 18.4867; 29.764; 10.6334
90; 94.381; 90
2678.1Natchimuthu, V.; Sharmila, N.; Ravi, S.
Crystal structure and Hirshfeld surface analysis of 1-methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate
Acta Crystallographica Section E, 2020, 76, 1168-1172
2243461 CIF
HKL
Paper
C25 H24 F N O5P b c a18.6879; 9.4736; 24.283
90; 90; 90
4299.1Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
Acta Crystallographica Section E, 2020, 76, 1187-1194
2243462 CIF
HKL
Paper
C23 H23 N O6P 1 21/c 119.794; 9.1396; 23.161
90; 101.071; 90
4112.1Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
Acta Crystallographica Section E, 2020, 76, 1187-1194
2243463 CIF
HKL
Paper
C29 H27 N O5P -110.4633; 11.318; 11.6008
104.628; 99.056; 112.929
1172.73Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
Acta Crystallographica Section E, 2020, 76, 1187-1194
2243464 CIF
HKL
Paper
C27 H29 N O7P 1 21/c 18.858; 22.769; 12.822
90; 109.839; 90
2432.6Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
Acta Crystallographica Section E, 2020, 76, 1187-1194
2243465 CIF
HKL
Paper
C32 H31 N O6P -111.572; 12.3994; 19.9358
83.779; 85.748; 71.559
2695.23Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
Acta Crystallographica Section E, 2020, 76, 1187-1194
2243466 CIF
HKL
Paper
C19 H26 N2 O4P 1 21 17.4839; 14.1752; 9.6461
90; 110.537; 90
958.28Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts
Acta Crystallographica Section E, 2020, 76, 1201-1205
2243467 CIF
HKL
C18 H22 N2 O4P 21 21 217.9845; 8.5641; 25.649
90; 90; 90
1753.9Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts
Acta Crystallographica Section E, 2020, 76, 1201-1205
2243468 CIF
HKL
Paper
C17 H20 F2 N2 O3P -16.5873; 7.6616; 17.3399
97.842; 90.378; 95.54
862.72Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher
The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid
Acta Crystallographica Section E, 2020, 76, 1179-1186
2243469 CIF
HKL
Paper
C17 H18.71 Br F N2 O2.35P -17.2584; 9.347; 13.767
101.14; 95.98; 109.44
849.7Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher
The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid
Acta Crystallographica Section E, 2020, 76, 1179-1186
2243470 CIF
HKL
Paper
C17 H18 F I N2 O2P -19.8892; 11.6831; 16.4547
106.776; 93.327; 104.874
1741.19Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher
The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid
Acta Crystallographica Section E, 2020, 76, 1179-1186
2243471 CIF
HKL
Paper
C16 H16 F N5 O7P 1 21/n 116.658; 6.6734; 17.553
90; 117.84; 90
1725.4Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher
The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid
Acta Crystallographica Section E, 2020, 76, 1179-1186
2243472 CIF
HKL
Paper
C17 H17 F N4 O6C 1 2/c 119.871; 7.342; 26.306
90; 94.54; 90
3825.8Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher
The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid
Acta Crystallographica Section E, 2020, 76, 1179-1186
2243473 CIF
HKL
Paper
C15 H12 N2 OP b c a7.8139; 27.047; 11.7683
90; 90; 90
2487.14Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile
Acta Crystallographica Section E, 2020, 76, 1195-1200
2243474 CIF
HKL
Paper
C46.44 H16.88 Cl0.88 F20 N4 O3C 1 2/c 123.1774; 15.4767; 26.0442
90; 113.168; 90
8588.9Churchill, Serena B. S.; Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias
Crystal structure of 2,3-dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate
Acta Crystallographica Section E, 2020, 76, 1222-1228
2243475 CIF
HKL
Paper
C24 H23 N3 O3 SP -110.1911; 10.7274; 11.7692
98.55; 105.632; 111.015
1112.76Surya Prakash Rao, H.; Gunasundari, Ramalingam; Muthukumaran, Jayaraman
Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate
Acta Crystallographica Section E, 2020, 76, 1209-1212
2243476 CIF
HKL
Paper
C15 H15 N OP 1 21 15.0472; 9.3118; 13.9581
90; 99.708; 90
646.62Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide
Acta Crystallographica Section E, 2020, 76, 1229-1233
2243477 CIF
HKL
Paper
C15 H15 N OP 1 21 18.3496; 5.2632; 14.2969
90; 99.8; 90
619.12Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide
Acta Crystallographica Section E, 2020, 76, 1229-1233
2243478 CIF
HKL
Paper
C15 H15 N OP 21 21 215.2133; 18.3625; 26.0799
90; 90; 90
2496.6Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide
Acta Crystallographica Section E, 2020, 76, 1229-1233
2243479 CIF
HKL
Paper
C68 H72 Dy Mn4 N8 Na O32P 1 n 114.3622; 16.5258; 16.8246
90; 92.347; 90
3989.9Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate
Acta Crystallographica Section E, 2020, 76, 1213-1221
2243480 CIF
HKL
Paper
C96 H134 Dy Mn4 N14 Na O38P 4/n :219.9869; 19.9869; 13.957
90; 90; 90
5575.5Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.
Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate
Acta Crystallographica Section E, 2020, 76, 1213-1221
2243481 CIF
HKL
Paper
C26 H30 B2 Fe N10P 1 21/c 117.1798; 8.7991; 18.7608
90; 99.711; 90
2795.37Ossinger, Sascha; Näther, Christian; Tuczek, Felix
Crystal structure of bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)
Acta Crystallographica Section E, 2020, 76, 1266-1270
2243482 CIF
HKL
Paper
C32 H30 N4 O2 S4P b c n15.4653; 7.9639; 24.8116
90; 90; 90
3055.9Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T.
2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 1245-1250
2243483 CIF
HKL
Paper
C18 H19 Cl2 N3P -18.1035; 9.1965; 12.3665
102.421; 95.88; 91.105
894.48Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Shadrack, Daniel M.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{2,2-dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
Acta Crystallographica Section E, 2020, 76, 1251-1254
2243484 CIF
HKL
Paper
C20 H24 Br2 N4P -18.1488; 11.2243; 12.6378
64.049; 74.184; 86.067
998.3Jabri, Zainab; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Rodi, Youssef Kandri; Misbahi, Khalid
Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
Acta Crystallographica Section E, 2020, 76, 1234-1238
2243485 CIF
HKL
Paper
C18 H26 Co N2 O11C 1 2/c 140.843; 6.9072; 8.0031
90; 91.891; 90
2256.5Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.
Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates
Acta Crystallographica Section E, 2020, 76, 1260-1265
2243486 CIF
HKL
C18 H26 N2 Ni O11C 1 2/c 140.884; 6.9438; 7.8983
90; 91.9; 90
2241Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.
Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates
Acta Crystallographica Section E, 2020, 76, 1260-1265
2243487 CIF
HKL
Paper
C24 H33 N O2P n a 2110.2778; 11.4064; 17.5586
90; 90; 90
2058.4Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat
Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)
Acta Crystallographica Section E, 2020, 76, 1239-1244
2243488 CIF
HKL
Paper
C24 H15 Cl2 N3 O2P -18.7077; 10.4281; 12.1329
101.111; 92.087; 113.161
986.22Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki
Crystal structure of 7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)
Acta Crystallographica Section E, 2020, 76, 1271-1274
2243489 CIF
HKL
Paper
C7 H5 Ag O5 SP -16.0376; 8.6293; 15.5903
92.315; 99.589; 90.657
800.12Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep
The low-temperature triclinic crystal structure of silver 3-sulfobenzoic acid
Acta Crystallographica Section E, 2020, 76, 1275-1278
2243490 CIF
HKL
Paper
C12 H32 Ba2 Cr2 Ni O40P 1 21/n 111.5556; 11.0774; 14.6105
90; 93.794; 90
1866.1Mbiangué, Yves Alain; Ndinga, Manelsa Lande; Nduga, Jean Pierre; Wenger, Emmanuel; Lecomte, Claude
Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate
Acta Crystallographica Section E, 2020, 76, 1316-1319
2243491 CIF
HKL
Paper
C11 H14 N2 O3P 1 21/n 17.0695; 10.8321; 14.4349
90; 101.556; 90
1082.98Zouitini, Ayman; Faizi, Md. Serajul Haque; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Mashrai, Ashraf
Synthesis, crystal structure at 219K and Hirshfeld surface analyses of 1,4,6-trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate
Acta Crystallographica Section E, 2020, 76, 1296-1301
2243492 CIF
HKL
Paper
C17 H14 Br N O2P 1 21/n 112.49907; 6.41302; 17.8772
90; 99.8083; 90
1412.03Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.
Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione
Acta Crystallographica Section E, 2020, 76, 1311-1315
2243493 CIF
HKL
Paper
C11 H10 O3P 1 21/n 111.3538; 7.4062; 20.5398
90; 92.6226; 90
1725.35Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.
Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione
Acta Crystallographica Section E, 2020, 76, 1311-1315
2243494 CIF
HKL
Paper
C26 H22 Au F N O P SP 1 21/n 18.9311; 17.2458; 15.6857
90; 99.361; 90
2383.8Yeo, Chien Ing; Tan, Sang Loon; Kwong, Huey Chong; Tiekink, Edward R. T.
[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2020, 76, 1284-1290
2243495 CIF
HKL
Paper
C3 H7 Cs O3P -4 21 m17.7764; 17.7764; 4.2223
90; 90; 90
1334.25Samolová, Erika; Fábry, Jan
Caesium propanoate monohydrate
Acta Crystallographica Section E, 2020, 76, 1307-1310
2243496 CIF
HKL
Paper
C10 H14 Cl6 N4 SnP -17.4537; 8.0674; 8.1025
83.791; 82.591; 71.407
456.768Ghallab, Rochdi; Boutebdja, Mehdi; Dénès, George; Merazig, Hocine
Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)
Acta Crystallographica Section E, 2020, 76, 1279-1283
2243497 CIF
HKL
Paper
C53 H42 Co2 N5 O13P -110.8832; 11.4742; 19.905
74.295; 89.791; 88.502
2392Saelim, Thawanrat; Chainok, Kittipong; Kielar, Filip; Wannarit, Nanthawat
Crystal structure of a novel one-dimensional zigzag chain-like cobalt(II) coordination polymer constructed from 4,4'-bipyridine and 2-hydroxybenzoate ligands
Acta Crystallographica Section E, 2020, 76, 1302-1306
2243498 CIF
HKL
Paper
C13 H9 Cl2 N3 O2P 1 21 17.1212; 12.711; 7.6991
90; 105.94; 90
670.1Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth
(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2020, 76, 1291-1295
2243499 CIF
HKL
Paper
C6 H15 N O6P 1 21/c 16.5739; 22.9278; 6.0647
90; 93.77; 90
912.12Navasardyan, Mger A.; Grishanov, Dmitry A.; Prikhodchenko, Petr V.; Churakov, Andrei V.
<small>DL</small>-Piperidinium-2-carboxylate bis(hydrogen peroxide): unusual hydrogen-bonded peroxide chains
Acta Crystallographica Section E, 2020, 76, 1331-1335
2243500 CIF
HKL
Paper
C15 H12 F3 N OP c a 216.2592; 7.2229; 28.551
90; 90; 90
1290.8Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol
Acta Crystallographica Section E, 2020, 76, 1325-1330
2243501 CIF
HKL
Paper
C15 H14 Cl N OP 1 21/c 18.0534; 6.3764; 25.3657
90; 96.392; 90
1294.47Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol
Acta Crystallographica Section E, 2020, 76, 1320-1324
2243502 CIF
HKL
Paper
C14 H20 Cu2 I2 N4 O2 S2P -18.121; 8.433; 9.154
68.918; 80.523; 71.27
553.1Wheaton, 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
2243503 CIF
HKL
Paper
C14 H20 Cu4 I4 N4 O2 S2C 1 2/c 114.4669; 12.2157; 16.9969
90; 112.562; 90
2773.9Wheaton, 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
2243504 CIF
HKL
Paper
C5 H7 Cu I N O SP b c n26.982; 8.195; 7.351
90; 90; 90
1625.4Wheaton, 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
2243505 CIF
HKL
Paper
C10 H14 Cu2 I2 N2 S4P 1 21/c 113.2866; 11.6974; 14.8089
90; 96.998; 90
2284.4Wheaton, 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
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

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