Crystallography Open Database

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2021971 CIF
HKL
Paper
C21 H40 O3P 16.1728; 12.3721; 13.6788
84.302; 80.846; 80.909
1015.45Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 294
2021993 CIF
HKL
Paper
C15 H14 N2 O2P 1 21 18.4959; 9.6479; 8.7619
90; 116.921; 90
640.36Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 467
2022002 CIF
HKL
Paper
C22 H30 Cl2 N4 Ni O12P 1 21/n 110.7997; 11.2319; 12.0225
90; 95.184; 90
1452.38Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 599
2022132 CIF
HKL
Paper
C42 H39 Au3 Fe N12 O4P -110.5601; 11.0044; 11.8145
80.212; 69.124; 78.565
1249.9Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.
Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 944
2022163 CIF
HKL
C16 H24 N2 S6P 1 21/n 19.4078; 9.2511; 11.6953
90; 105.722; 90
979.79Assoumatine, Tokouré; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 977
2022164 CIF
HKL
C16 H24 N2 S6P b c n12.2613; 9.9564; 16.2828
90; 90; 90
1987.8Assoumatine, Tokouré; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 977
2022178 CIF
HKL
Paper
C13 H9 Cl2 N3 O2P 1 21/n 17.1138; 12.6827; 15.1613
90; 100.571; 90
1344.67Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine
Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 1173
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

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