Crystallography Open Database

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2243008 CIF
HKL
Paper
C14 H17 N O2P 1 21/c 110.4844; 26.562; 9.3651
90; 105.367; 90
2514.8Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V.
Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one
Acta Crystallographica Section E, 2019, 75, 1117-1122
2243009 CIF
Paper
C8 H9 N OP 1 21/c 117.635; 7.817; 16.718
90; 110.639; 90
2156.7Jansen van Vuuren, Leandri; Visser, Hendrik G.; Schutte-Smith, Marietjie
Crystal structure of 2-(methylamino)tropone
Acta Crystallographica Section E, 2019, 75, 1128-1132
2243010 CIF
HKL
Paper
C13 H14 O6 SP 1 21/c 123.1461; 8.2631; 14.6374
90; 97.687; 90
2774.4Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.
Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate
Acta Crystallographica Section E, 2019, 75, 1123-1127
2243011 CIF
HKL
C24 H20 Au2 Fe N8 O2C 1 2/c 118.5306; 10.4541; 14.2522
90; 107.509; 90
2633Kucheriv, Olesia I.; Barakhtii, Diana D.; Malinkin, Sergey O.; Shova, Sergiu; Gural'skiy, Il'ya A.
Crystal structure of <i>catena</i>-poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)]
Acta Crystallographica Section E, 2019, 75, 1149-1152
2243012 CIF
HKL
Paper
C14 H8 F4 N2 O2P -17.0347; 10.256; 18.129
78.844; 80.165; 87.242
1264.2Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.
Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione
Acta Crystallographica Section E, 2019, 75, 1153-1157
2243013 CIF
HKL
Paper
C14 H8 F4 N2 O3P 1 21/n 112.285; 5.945; 17.888
90; 93.44; 90
1304.1Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.
Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione
Acta Crystallographica Section E, 2019, 75, 1153-1157
2243014 CIF
HKL
Paper
C27 H32 N4 O7P 21 21 218.8417; 11.3252; 25.7003
90; 90; 90
2573.47Filali, Mouad; Elmsellem, Hicham; Hökelek, Tuncer; El-Ghayoury, Abdelkrim; Stetsiuk, Oleh; El Hadrami, El Mestafa; Ben-Tama, Abdessalam
Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate
Acta Crystallographica Section E, 2019, 75, 1169-1174
2243015 CIF
HKL
Paper
C16 H15 Br Cl N3 SP -18.3146; 8.9424; 12.2388
80.988; 76.458; 70.027
828.54Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
Acta Crystallographica Section E, 2019, 75, 1175-1179
2243016 CIF
HKL
Paper
C17 H23 N O2P 1 21/c 116.2512; 7.6859; 13.0989
90; 106.64; 90
1567.6Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.
Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione
Acta Crystallographica Section E, 2019, 75, 1140-1144
2243017 CIF
HKL
Paper
C63.5 H32 Cl F10 N5 Ni S2P 1 21/c 114.0919; 22.0127; 17.9648
90; 93.95; 90
5559.46Gutzeit, Florian; Näther, Christian; Herges, Rainer
Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2) showing a rare CN5 coordination
Acta Crystallographica Section E, 2019, 75, 1180-1184
2243018 CIF
HKL
Paper
C40 H44 F12 N4 O7P -110.0405; 14.6482; 14.6547
100.745; 93.83; 98.497
2084.42Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2019, 75, 1162-1168
2243019 CIF
HKL
Paper
C16 H11 Cl2 N3 OP 1 21/c 13.9117; 25.109; 14.968
90; 97.07; 90
1459Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile
Acta Crystallographica Section E, 2019, 75, 1190-1194
2243020 CIF
HKL
Paper
C16 H16 Cu2 Fe N8C 1 2/c 113.1997; 9.2923; 13.801
90; 92.399; 90
1691.3Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Kucheriv, Olesia I.; Gural'skiy, Il'ya A.
Crystal structure of a low-spin poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)]
Acta Crystallographica Section E, 2019, 75, 1205-1208
2243021 CIF
HKL
Paper
C11 H37 Cu5 Gd N11 O24.5P -111.2057; 11.5054; 13.2983
94.026; 94.942; 107.558
1620.2Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.
The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue
Acta Crystallographica Section E, 2019, 75, 1215-1223
2243022 CIF
HKL
Paper
C11 H36.56 Cu5 Dy N11 O24.28P -111.1083; 11.4991; 13.2894
93.9235; 94.7713; 107.147
1608.74Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.
The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue
Acta Crystallographica Section E, 2019, 75, 1215-1223
2243023 CIF
HKL
Paper
C11 H36.89 Cu5 Ho N11 O24.45P -111.2027; 11.4955; 13.2467
94.001; 94.784; 107.518
1613Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.
The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue
Acta Crystallographica Section E, 2019, 75, 1215-1223
2243024 CIF
HKL
Paper
C14 H8 Br Cl2 N3 O2P n a 2113.9181; 13.4336; 8.408
90; 90; 90
1572.05Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.
Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene
Acta Crystallographica Section E, 2019, 75, 1199-1204
2243025 CIF
HKL
Paper
C14 H8 Cl3 N3 O2P n a 2113.8689; 13.3674; 8.362
90; 90; 90
1550.24Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.
Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene
Acta Crystallographica Section E, 2019, 75, 1199-1204
2243026 CIF
HKL
Paper
C26 H24 Cd I4 N6P 1 21/n 117.2718; 16.653; 22.4402
90; 108.922; 90
6105.62Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.
Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt
Acta Crystallographica Section E, 2019, 75, 1209-1214
2243027 CIF
HKL
C26 H30 Cl1.5 N6.5 O4.5P -17.3959; 10.2889; 18.5155
88.208; 95.033; 108.916
1327.71Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.
Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt
Acta Crystallographica Section E, 2019, 75, 1209-1214
2243028 CIF
HKL
Paper
C11 H11 N O3R -3 :H26.3146; 26.3146; 8.1205
90; 90; 120
4869.8Caracelli, Ignez; Zukerman-Schpector, Julio; Schwab, Ricardo S.; da Silva, Everton M.; Jotani, Mukesh M.; Tiekink, Edward R. T.
2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study
Acta Crystallographica Section E, 2019, 75, 1232-1238
2243029 CIF
HKL
Paper
C10 H10 Br2 O6P -14.2823; 6.2607; 11.5497
96.701; 93.93; 90.575
306.76Khotchasanthong, Kenika; Jittirattanakun, Siripak; Jiajaroen, Suwadee; Theppitak, Chatphorn; Chainok, Kittipong
Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate
Acta Crystallographica Section E, 2019, 75, 1228-1231
2243030 CIF
HKL
Paper
C26 H16 Cl6 N6 O2P 1 21/c 15.9406; 18.856; 12.2375
90; 96.863; 90
1361Ahmed, Muhib; Devereux, Michael; McKee, Vickie; McCann, Malachy; Rooney, A. Denise
(<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate: a superconjugated ligand
Acta Crystallographica Section E, 2019, 75, 1224-1227
2243031 CIF
HKL
Paper
C19 H18 N2 O3 SP 1 21/n 116.993; 9.955; 21.243
90; 99.531; 90
3544Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.
Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones
Acta Crystallographica Section E, 2019, 75, 1270-1273
2243032 CIF
HKL
C19 H18 N2 O3 SP c a 2117.478; 10.4125; 9.7129
90; 90; 90
1767.6Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.
Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones
Acta Crystallographica Section E, 2019, 75, 1270-1273
2243033 CIF
HKL
Paper
C13 H25 N O3 SP -111.7761; 11.8731; 18.2788
92.501; 94.696; 116.609
2268.09Tuksar, Mihaela; Rubčić, Mirta; Meštrović, Ernest
(3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate (memantinium mesylate): synthesis, structure and solid-state properties
Acta Crystallographica Section E, 2019, 75, 1274-1279
2243034 CIF
HKL
Paper
C69.68 H118.37 Cl3 N4 O6 Pd2P 1 21/c 115.8843; 29.78; 16.6629
90; 109.554; 90
7427.6Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias
Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes
Acta Crystallographica Section E, 2019, 75, 1265-1269
2243035 CIF
HKL
Paper
C5 H15 Br3 K N2 O0.5A m m 213.411; 9.488; 9.79
90; 90; 90
1245.7Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.
Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)
Acta Crystallographica Section E, 2019, 75, 1243-1248
2243036 CIF
HKL
Paper
C5 H15 Br3 N2 O0.5 RbA m m 213.477; 9.5617; 9.85
90; 90; 90
1269.3Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.
Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)
Acta Crystallographica Section E, 2019, 75, 1243-1248
2243037 CIF
HKL
Paper
C5 H15 Br3 Cs N2 O0.5A m m 213.61; 9.7201; 9.977
90; 90; 90
1319.9Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.
Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)
Acta Crystallographica Section E, 2019, 75, 1243-1248
2243038 CIF
HKL
Paper
C24 H36 Br4 Mn2 N4 O8P -18.956; 9.7922; 10.2945
110.048; 90.336; 98.052
838.34Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.
Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2019, 75, 1284-1290
2243039 CIF
HKL
Paper
C24 H32 Br4 Mn2 N4 O6P -17.6354; 9.97; 11.898
111.98; 100.36; 97.737
805.71Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.
Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2019, 75, 1284-1290
2243040 CIF
HKL
Paper
C26 H36 Br4 Mn2 N4 O6P 1 21/n 113.5384; 9.5354; 13.7292
90; 103.112; 90
1726.15Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.
Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2019, 75, 1284-1290
2243041 CIF
HKL
C20 H24 Br4 Mn2 N4 O6P 1 21/n 17.736; 15.179; 12.528
90; 100.055; 90
1448.5Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.
Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2019, 75, 1284-1290
2243042 CIF
HKL
Paper
C18 H20 N2 O2C 1 c 129.403; 7.9811; 6.7898
90; 97.352; 90
1580.3Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243043 CIF
HKL
Paper
C18 H19 F N2 O2P 1 21/c 16.998; 7.938; 28.415
90; 92.2; 90
1577.3Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243044 CIF
HKL
Paper
C18 H19 Cl N2 O2P b c a13.032; 13.247; 19.258
90; 90; 90
3324.6Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243045 CIF
HKL
Paper
C18 H19 Br N2 O2P b c a12.9119; 13.3664; 19.5019
90; 90; 90
3365.7Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243046 CIF
HKL
Paper
C18 H19 I N2 O2P b c a12.7671; 13.5429; 20.2542
90; 90; 90
3502Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243047 CIF
HKL
Paper
C18 H20 N2 O3P b c a9.7265; 12.9084; 24.861
90; 90; 90
3121.4Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Acta Crystallographica Section E, 2019, 75, 1253-1260
2243048 CIF
HKL
Paper
C4 H11 Br2 Cs N2P b c m4.5787; 23.325; 9.1828
90; 90; 90
980.7Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.
Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms
Acta Crystallographica Section E, 2019, 75, 1249-1252
2243049 CIF
HKL
Paper
C4 H11 Br2 N2 RbP b c m4.4675; 23.036; 9.021
90; 90; 90
928.4Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.
Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms
Acta Crystallographica Section E, 2019, 75, 1249-1252
2243050 CIF
HKL
Paper
C20 H4 Co3 F12 Mo O6 S6C 1 2/c 122.7465; 12.8779; 23.6033
90; 115.384; 90
6246.5Nguyen, Neilson; Lough, Alan J.; Fekl, Ulrich
A molybdenum tris(dithiolene) complex coordinates to three bound cobalt centers in three different ways
Acta Crystallographica Section E, 2019, 75, 1261-1264
2243051 CIF
HKL
Paper
C14 H12 N2 O4P 1 21/c 111.5352; 7.1711; 15.0606
90; 108.548; 90
1181.1Chantrapromma, Suchada; Kwong, Huey Chong; Prachumrat, Patcharawadee; Kobkeatthawin, Thawanrat; Chia, Tze Shyang; Quah, Ching Kheng
Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide
Acta Crystallographica Section E, 2019, 75, 1280-1283
2243052 CIF
HKL
Paper
C19 H20 N4 O2 S2P 1 21/c 113.1955; 10.0157; 14.5476
90; 98.329; 90
1902.36Asegbeloyin, Jonnie N.; Ifeanyieze, Kenechukwu J.; Okpareke, Obinna C.; Oyeka, Ebube E.; Groutso, Tatiana V.
Crystal structure and Hirshfeld surface analysis of a new dithioglycoluril: 1,4-bis(4-methoxyphenyl)-3<i>a</i>-methyltetrahydroimidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3<i>H</i>)-dithione
Acta Crystallographica Section E, 2019, 75, 1297-1300
2243053 CIF
HKL
Paper
C25 H29 N3 O3P 1 21/c 111.7624; 22.9546; 8.1934
90; 93.717; 90
2207.6Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.
Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid
Acta Crystallographica Section E, 2019, 75, 1306-1310
2243054 CIF
HKL
C21 H25 N3 O2 SP 1 21/c 116.1504; 8.1264; 15.6487
90; 108.849; 90
1943.67Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.
Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid
Acta Crystallographica Section E, 2019, 75, 1306-1310
2243055 CIF
HKL
C18 H24 N2 O4P 1 21/c 19.852; 12.789; 14.875
90; 106.932; 90
1793Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin
Acta Crystallographica Section E, 2019, 75, 1316-1320
2243056 CIF
HKL
C18 H26 N2 O6C 1 2/c 129.507; 8.7445; 17.3659
90; 123.389; 90
3741.3Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin
Acta Crystallographica Section E, 2019, 75, 1316-1320
2243057 CIF
HKL
Paper
C15 H13 Cl N2 O2P 1 21/n 18.1752; 13.2684; 12.7391
90; 100.105; 90
1360.4Mertens, R. Tyler; Parkin, Sean R.; Awuah, Samuel G.
Synthesis and crystal structure of 1,3-bis(4-hydroxyphenyl)-1<i>H</i>-imidazol-3-ium chloride
Acta Crystallographica Section E, 2019, 75, 1311-1315
2243058 CIF
HKL
C129 H105 O7 Yb2P 1 21/c 114.4612; 20.8473; 32.0864
90; 95.508; 90
9628.6Berg, David J.; Twamley, Brendan
Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand
Acta Crystallographica Section E, 2019, 75, 1367-1371
2243059 CIF
HKL
Paper
C18 H16 N4 OP 1 21/c 18.942; 15.113; 11.5829
90; 100.132; 90
1540.91Filali, Mouad; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Chakroune, Said; Ben-Tama, Abdessalam; El Hadrami, El Mestafa
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine
Acta Crystallographica Section E, 2019, 75, 1321-1326
2243060 CIF
HKL
Paper
C7 H4 F3 N O2P 1 21/c 18.2767; 8.5106; 10.55
90; 99.443; 90
733.07Zreigh, Mohamed M.; Adams, Harry; Jackson, Richard F. W.; Robertson, Craig C.
The first crystal structure of the pyrrolo[1,2-<i>c</i>]oxazole ring system
Acta Crystallographica Section E, 2019, 75, 1336-1338
2243061 CIF
HKL
Paper
C26 H36 B2 Fe N12P 1 21/c 116.0762; 10.1827; 18.341
90; 108.785; 90
2842.48Seredyuk, Maksym; Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Slobodyanik, Mykola S.
Crystal structure and magnetic properties of bis[butyltris(1<i>H</i>-pyrazol-1-yl)borato]iron(II)
Acta Crystallographica Section E, 2019, 75, 1327-1330
2243062 CIF
HKL
Paper
C17 H16 O4P 1 21/n 112.0914; 9.4741; 12.7761
90; 92.943; 90
1461.64Martínez-Cabrera, Miguel A.; Macías, Mario A.; Ferreira, Francisco; Pandolfi, Enrique; Barúa, Javier; Suescun, Leopoldo
Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis
Acta Crystallographica Section E, 2019, 75, 1362-1366
2243063 CIF
HKL
Paper
C32 H51 N O6C 1 2 134.882; 6.5332; 13.6021
90; 100.599; 90
3046.9Suescun, Leopoldo; Heinzen, Horacio
Absolute structure of (3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate from 62-year-old crystals
Acta Crystallographica Section E, 2019, 75, 1348-1351
2243064 CIF
HKL
Paper
C11 H9 F3 N4 SP n a 217.6595; 20.9841; 7.8641
90; 90; 90
1263.98Slyvka, Yurii; Goreshnik, Evgeny; Pokhodylo, Nazariy; Mys`kiv, Marian
Crystal structure, Hirshfeld surface analysis and computational studies of 5-[(prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole
Acta Crystallographica Section E, 2019, 75, 1331-1335
2243065 CIF
HKL
Paper
C15 H17 N5P 1 21/n 110.6043; 9.4168; 16.4423
90; 107.886; 90
1562.55Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Fonari, Marina; Timofeeva, Tatiana V.
Crystal structure of tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide
Acta Crystallographica Section E, 2019, 75, 1344-1347
2243066 CIF
HKL
Paper
C18 H16 N2 OP -15.8479; 8.5738; 15.2439
80.693; 83.147; 78.164
735.27Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Karrouchi, Khalid; Benchat, Noureddine; Baydere, Cemile; Dege, Necmi
Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2019, 75, 1352-1356
2243067 CIF
HKL
C11 H11 N O2 SP -19.2784; 10.7925; 11.6696
74.464; 74.179; 85.073
1083.11Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus
Synthesis, characterization, crystal structure and supramolecularity of ethyl (<i>E</i>)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate
Acta Crystallographica Section E, 2019, 75, 1357-1361
2243068 CIF
HKL
C10 H9 N O2 SP 1 21/c 111.5907; 6.6883; 13.4837
90; 107.859; 90
994.92Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus
Synthesis, characterization, crystal structure and supramolecularity of ethyl (<i>E</i>)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate
Acta Crystallographica Section E, 2019, 75, 1357-1361
2243069 CIF
HKL
Paper
C27 H26 O SiP 1 21/c 111.8576; 13.2995; 14.3948
90; 110.363; 90
2128.2Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.
Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol
Acta Crystallographica Section E, 2019, 75, 1339-1343
2243070 CIF
HKL
C33 H30 SiP -110.3879; 10.5037; 13.635
68.8212; 70.6364; 84.7947
1308.06Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.
Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol
Acta Crystallographica Section E, 2019, 75, 1339-1343
2243071 CIF
HKL
Paper
C15 H9 Br Cl2 OP 1 21/c 13.9834; 13.471; 25.661
90; 92.736; 90
1375.4Bindya, S.; Chidan Kumar, C. S.; Naveen, S.; Siddaraju, B. P.; Quah, Ching Kheng; Md. Abu Raihan
Crystal structure and Hirshfeld surface analysis of a bromochalcone: (<i>E</i>)-1-(3-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
Acta Crystallographica, Section E, 2019, 75, 264-267
2243072 CIF
HKL
Paper
C12 H15 N3 O2 SP n a 2111.7579; 15.0584; 7.1103
90; 90; 90
1258.92Tran Buu, Dang; Duong Ba, Vu; Khoi Nguyen Hoang, Minh; Vu Quoc, Trung; Duong Khanh, Linh; Oanh Doan Thi, Yen; Van Meervelt, Luc
Synthesis and redetermination of the crystal structure of salicylaldehyde <i>N</i>(4)-morpholinothiosemicarbazone
Acta Crystallographica Section E, 2019, 75, 1389-1393
2243073 CIF
HKL
C22 H30 Ag F6 N6 P S2P 1 21/c 113.827; 26.243; 8.1218
90; 95.678; 90
2932.6Groner, Vincent M.; Larson, Garrett E.; Kan, Yuwei; Roll, Mark F.; Moberly, James G.; Waynant, Kristopher V.
The synthesis and crystal structure of bis[3,3-diethyl-1-(phenylimino-κ<i>N</i>)thiourea-κ<i>S</i>]silver hexafluoridophosphate
Acta Crystallographica Section E, 2019, 75, 1394-1398
2243074 CIF
Paper
C17 H19 I O3P 1 21/c 19.4977; 9.3635; 19.8978
90; 102.752; 90
1725.9Yin, Dejing
Synthesis and crystal structure of <i>tert</i>-butyl 1-(2-iodobenzoyl)cyclopent-3-ene-1-carboxylate
Acta Crystallographica Section E, 2019, 75, 1383-1385
2243075 CIF
HKL
Paper
C14 H15 Br Cl N O4P 1 21/c 112.4682; 14.6397; 8.3524
90; 91.392; 90
1524.12Abdellaoui, Omar; Hökelek, Tuncer; Capet, Frédéric; Renard, Catherine; Haoudi, Amal; Skalli, Mohamed Khalid; Kandri Rodi, Youssef
Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione
Acta Crystallographica Section E, 2019, 75, 1372-1378
2243076 CIF
HKL
Paper
C19 H20 O5P -16.8072; 8.5792; 15.801
100.365; 99.433; 104.984
855.09Jumaah, Maadh; Kwong, Huey Chong; Khairuddean, Melati
Crystal structure of (<i>E</i>)-3-(2-hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2019, 75, 1379-1382
2243077 CIF
HKL
Paper
Cl2 H6 N2 ZnI m m a7.7077; 8.0226; 8.4526
90; 90; 90
522.67Ivšić, Trpimir; Bi, David Wenhua; Magrez, Arnaud
New refinement of the crystal structure of Zn(NH~3~)~2~Cl~2~ at 100K
Acta Crystallographica Section E, 2019, 75, 1386-1388
2243078 CIF
HKL
Paper
C21 H21 N2 O6.5 S0.5C 1 2/c 133.0258; 5.4412; 22.4342
90; 107.203; 90
3851.07Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.
Crystal structures and Hirshfeld surface analyses of (<i>E</i>)-<i>N</i>'-benzylidene-2-oxo-2<i>H</i>-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (<i>E</i>)-2-oxo-<i>N</i>'-(3,4,5-trimethoxybenzylidene)-2<i>H</i>-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former
Acta Crystallographica Section E, 2019, 75, 1403-1410
2243079 CIF
HKL
Paper
C17 H12 N2 O3P -15.6715; 7.4164; 15.9819
88.369; 84.147; 82.961
663.6Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.
Crystal structures and Hirshfeld surface analyses of (<i>E</i>)-<i>N</i>'-benzylidene-2-oxo-2<i>H</i>-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (<i>E</i>)-2-oxo-<i>N</i>'-(3,4,5-trimethoxybenzylidene)-2<i>H</i>-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former
Acta Crystallographica Section E, 2019, 75, 1403-1410
2243080 CIF
HKL
Paper
C15 H12 Cl N O3P 1 21/n 17.1809; 21.4466; 8.9173
90; 92.784; 90
1371.7Hayani, Sonia; Filali Baba, Yassir; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Sebbar, Nada Kheira; Kandri Rodi, Youssef
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate
Acta Crystallographica Section E, 2019, 75, 1411-1417
2243081 CIF
HKL
Paper
C20 H19 N3 O4 SP -16.7559; 16.9258; 19.0611
110.447; 96.854; 93.37
2015.84NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives
Acta Crystallographica Section E, 2019, 75, 1436-1444
2243082 CIF
Paper
C17 H21.5 N3 O4.25 SP -16.7802; 17.2671; 17.3089
108.224; 99.084; 96.72
1870.5NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives
Acta Crystallographica Section E, 2019, 75, 1436-1444
2243083 CIF
HKL
Paper
C16 H19 N3 O4 SP -111.415; 12.4021; 13.2305
71.982; 89.829; 83.114
1767.18NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives
Acta Crystallographica Section E, 2019, 75, 1436-1444
2243084 CIF
HKL
Paper
C22.5 H21.5 Cl1.5 N3 O4 SP -110.7427; 11.0828; 20.8969
93.186; 103.945; 98.489
2377.4NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives
Acta Crystallographica Section E, 2019, 75, 1436-1444
2243085 CIF
HKL
C25 H12 Cl6 O4P 1 21/c 117.9667; 7.915; 17.6995
90; 110.673; 90
2354.92Muto, Toyokazu; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko
Crystal structure and Hirshfeld surface analysis of 2-hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene
Acta Crystallographica Section E, 2019, 75, 1418-1422
2243086 CIF
HKL
Paper
C16 H17 Cl4 N O3C 1 c 126.406; 9.5558; 7.1019
90; 101.076; 90
1758.6Uprety, Bhawna; Arderne, Charmaine
The crystal structure of the zwitterionic co-crystal of 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate and 2,4-dichlorophenol
Acta Crystallographica Section E, 2019, 75, 1452-1455
2243087 CIF
HKL
Paper
C27 H29 Br N2P 1 21/c 19.9949; 23.546; 10.2919
90; 108.334; 90
2299.1Kubono, Koji; Matsumoto, Taisuke; Taneda, Masatsugu
Crystal structure of 4-bromo-<i>N</i>-[(3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazol-1-yl)methylidene]aniline
Acta Crystallographica Section E, 2019, 75, 1429-1431
2243088 CIF
HKL
Paper
C17 H33 N3 O5 SP c a 2117.5093; 7.8052; 30.3155
90; 90; 90
4143Wickramasinhage, Ravindra N.; McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim
The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate
Acta Crystallographica Section E, 2019, 75, 1445-1451
2243089 CIF
HKL
Paper
C14 H10 Cl2 N2 OP 1 21/n 18.5614; 15.6055; 10.0527
90; 95.031; 90
1337.9Manawar, Rohit B.; Gondaliya, Mitesh B.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
2-{(1<i>E</i>)-[(<i>E</i>)-2-(2,6-Dichlorobenzylidene)hydrazin-1-ylidene]methyl}phenol: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2019, 75, 1423-1428
2243090 CIF
HKL
Paper
C13 H18 N2 O3 SP 1 21/c 17.4051; 10.6213; 18.569
90; 94.117; 90
1456.7Tan, Sang Loon; Azizan, Ainnul Hamidah Syahadah; Jotani, Mukesh M.; Tiekink, Edward R. T.
3,3-Bis(2-hydroxyethyl)-1-[(4-methylphenyl)carbonyl]thiourea: crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2019, 75, 1472-1478
2243091 CIF
HKL
Paper
C25 H29 N S2 SnP -19.7572; 11.703; 11.7602
74.419; 80.114; 67.285
1189.7Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.
(<i>N</i>,<i>N</i>'-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2019, 75, 1479-1485
2243092 CIF
HKL
Paper
C34 H28 Cl2 N2 O2P 1 21/c 18.671; 15.6756; 20.2284
90; 93.036; 90
2745.6Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.
Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule
Acta Crystallographica Section E, 2019, 75, 1456-1462
2243093 CIF
HKL
Paper
C36 H34 N2 O2P 1 21/c 18.7507; 15.9089; 20.2879
90; 92.935; 90
2820.7Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.
Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule
Acta Crystallographica Section E, 2019, 75, 1456-1462
2243094 CIF
HKL
C24 H31 N3 O2P -16.095; 10.215; 17.995
84.781; 85.688; 76.012
1081Asgarova, Ayten R.
Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carboxamide
Acta Crystallographica Section E, 2019, 75, 1467-1471
2243095 CIF
HKL
C24 H22 N4 O4P 1 21/c 17.9556; 14.8583; 17.3362
90; 95.556; 90
2039.6Moon, Suk-Hee; Kim, Jinho; Park, Ki-Min; Kang, Youngjin
Crystal structure and Hirshfeld surface analysis of 2,2''',6,6'''-tetramethoxy-3,2':5',3'':6'',3'''-quaterpyridine
Acta Crystallographica Section E, 2019, 75, 1511-1514
2243096 CIF
HKL
Paper
C18 H18 F2 N2 O3P 21 21 2113.4775; 28.026; 9.1085
90; 90; 90
3440.5Artheswari, G.; Maheshwaran, V.; Gautham, N.
Crystal structure and Hirshfeld surface analysis of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)benzamide
Acta Crystallographica Section E, 2019, 75, 1515-1518
2243097 CIF
HKL
Paper
C18 H24 N2 O4P -16.215; 7.547; 18.716
84.34; 87.14; 84.69
869.1Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243098 CIF
HKL
Paper
C18 H23 F N2 O4P -16.256; 7.489; 19.097
84.19; 86.98; 84.62
885.4Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243099 CIF
HKL
Paper
C18 H23 Cl N2 O4P -16.211; 7.481; 20.144
84.9; 87.48; 85.19
928.4Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243100 CIF
HKL
Paper
C18 H23 Br N2 O4P -16.2004; 7.4957; 20.44
85.08; 87.37; 85
942.17Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243101 CIF
HKL
Paper
C18 H22 N2 O4P 21 21 216.5009; 7.9735; 32.155
90; 90; 90
1666.8Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243102 CIF
HKL
Paper
C17 H21 N3 O3P b c a9.2817; 11.2905; 30.309
90; 90; 90
3176.2Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243103 CIF
HKL
Paper
C18 H20 N4 O8P 1 21/c 17.55; 7.6489; 32.719
90; 91.3; 90
1889Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243104 CIF
HKL
Paper
C15 H22 N2 O5P n a 219.3225; 28.261; 5.8228
90; 90; 90
1534.1Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243105 CIF
HKL
Paper
C15 H20 N2 O5P n a 219.069; 28.528; 5.8375
90; 90; 90
1510.3Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243106 CIF
HKL
Paper
C15 H20 N2 O5P 1 21/c 19.063; 6.4956; 26.093
90; 93.18; 90
1533.7Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243107 CIF
HKL
Paper
C13 H17 Cl3 N2 O3P c a 2110.6117; 13.808; 10.9137
90; 90; 90
1599.1Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243108 CIF
HKL
Paper
C14 H19 Cl N2 O4P 1 21/n 19.1597; 15.1434; 10.8742
90; 102.067; 90
1475.02Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Acta Crystallographica Section E, 2019, 75, 1494-1506
2243109 CIF
Paper
C10 H16 Fe N4 O4 PtP 4/m m m7.4802; 7.4802; 7.9725
90; 90; 90
446.09Kuzevanova, Iryna S.; Naumova, Dina D.; Terebilenko, Kateryna V.; Shova, Sergiu; Gural'skiy, Il'ya A.
Crystal structure of poly[[diaquatetra-μ~2~-cyanido-iron(II)platinum(II)] acetone disolvate]
Acta Crystallographica Section E, 2019, 75, 1536-1539
2243110 CIF
HKL
Paper
C20 H17 Cl2 N2 O4P 1 21/c 112.753; 6.665; 24.05
90; 102.95; 90
1992Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.
Crystal structures of two 4<i>H</i>-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran
Acta Crystallographica Section E, 2019, 75, 1568-1572
2243111 CIF
HKL
Paper
C16 H9 Cl2 N2 O2P -16.271; 8.697; 13.794
107.06; 94.269; 95
712.5Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.
Crystal structures of two 4<i>H</i>-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran
Acta Crystallographica Section E, 2019, 75, 1568-1572
2243112 CIF
HKL
Paper
C64 H33 F10 N5 Ni S2P 21 21 2112.6269; 18.0525; 24.9524
90; 90; 90
5687.83Gutzeit, Florian; Neumann, Tjorge; Näther, Christian; Herges, Rainer
Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2)
Acta Crystallographica Section E, 2019, 75, 1558-1563
2243113 CIF
HKL
Paper
C16 H14 N2 O3 SP 1 21/c 113.667; 6.8704; 16.722
90; 108.02; 90
1493.1Aydin, Abdullah; Celikesir, Sevim Turktekin; Akkurt, Mehmet; Saylam, Merve; Pabuccuoglu, Varol
Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-<i>N</i>-(2-methoxyphenyl)acetamide
Acta Crystallographica Section E, 2019, 75, 1531-1535
2243114 CIF
HKL
Paper
C16 H10 Cl N3 O6C 1 2/c 120.5876; 7.6889; 20.4312
90; 104.534; 90
3130.68Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate
Acta Crystallographica Section E, 2019, 75, 1552-1557
2243115 CIF
HKL
Paper
C16 H10 Cl N3 O6P -17.7282; 10.2839; 11.2828
71.99; 79.724; 69.051
794.08Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate
Acta Crystallographica Section E, 2019, 75, 1552-1557
2243116 CIF
HKL
Paper
C16 H11 Cl N2 O5P 1 21/n 17.3409; 7.4689; 27.0427
90; 95.7158; 90
1475.34Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate
Acta Crystallographica Section E, 2019, 75, 1552-1557
2243117 CIF
HKL
Paper
C37 H26 N4 O3 SP 1 21/n 18.369; 13.244; 29.221
90; 93.28; 90
3233.52Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.
The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
Acta Crystallographica Section E, 2019, 75, 1519-1524
2243118 CIF
HKL
Paper
C36 H28 N2 O4C 1 2/c 135.736; 11.451; 15.313
90; 98.378; 90
6199.4Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.
The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
Acta Crystallographica Section E, 2019, 75, 1519-1524
2243119 CIF
HKL
Paper
C18 H32 F6 Fe O10 S2P 21 21 218.6618; 16.261; 19.0572
90; 90; 90
2684.2Riemersma, Charl F.; Monkcom, Emily C.; Klein Gebbink, Robertus J. M.; Lutz, Martin
Crystal structure of tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)
Acta Crystallographica Section E, 2019, 75, 1548-1551
2243120 CIF
HKL
Paper
C9 H12 Br N3 SP 1 21/n 110.5986; 8.7168; 13.0308
90; 111.513; 90
1119.99Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenylthiazolidin-2-iminium bromide
Acta Crystallographica Section E, 2019, 75, 1544-1547
2243121 CIF
HKL
Paper
C36 F30 N3 O6 P3P 1 21/c 18.1111; 44.054; 12.259
90; 109.612; 90
4126.3Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.
Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes
Acta Crystallographica Section E, 2019, 75, 1525-1530
2243122 CIF
HKL
C42 H24 F18 N3 O6 P3P -113.4906; 13.6573; 14.9377
65.253; 68.874; 71.715
2288Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.
Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes
Acta Crystallographica Section E, 2019, 75, 1525-1530
2243123 CIF
HKL
C48 H18 F36 N3 O6 P3P -18.9782; 13.947; 23.205
97.276; 93.155; 91.615
2876.1Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.
Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes
Acta Crystallographica Section E, 2019, 75, 1525-1530
2243124 CIF
HKL
Paper
C19 H19 N3P c a 219.3492; 16.3716; 10.803
90; 90; 90
1653.52Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.
Crystal structure and Hirshfeld surface analysis of <i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-amine
Acta Crystallographica Section E, 2019, 75, 1564-1567
2243125 CIF
HKL
Paper
C21 H41 N3 O5P 1 21/c 110.0905; 14.8664; 16.1261
90; 97.347; 90
2399.2Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros
Tetra-<i>n</i>-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement
Acta Crystallographica Section E, 2019, 75, 1632-1637
2243126 CIF
HKL
Paper
C21 H41 N3 O5P 1 21/c 110.1335; 14.669; 16.9205
90; 96.63; 90
2498.4Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros
Tetra-<i>n</i>-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement
Acta Crystallographica Section E, 2019, 75, 1632-1637
2243127 CIF
HKL
Paper
C16 H18 N2 O4P b c a12.1452; 8.1784; 31.2738
90; 90; 90
3106.4Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc
Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate
Acta Crystallographica Section E, 2019, 75, 1590-1594
2243128 CIF
HKL
Paper
C14 H22 Cl6 Hg2 N4P -17.6558; 11.8961; 13.5853
82.95; 76.072; 76.339
1164.07Garci, Fatma; Ferjani, Hela; Chebbi, Hammouda; Ben Jomaa, Mariem; Zid, Mohamed Faouzi
Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]
Acta Crystallographica Section E, 2019, 75, 1600-1606
2243129 CIF
HKL
Paper
C27 H26 N2 O2 S2P -110.201; 20.026; 25.2349
70.535; 86.852; 82.147
4814.65Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A.
Crystal structure of benzyl <i>N</i>'-[(1<i>E</i>,4<i>E</i>)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate
Acta Crystallographica Section E, 2019, 75, 1613-1619
2243130 CIF
HKL
Paper
C13 H8 Br2 N2P b c a14.1711; 6.0546; 27.7102
90; 90; 90
2377.54Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra
Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine
Acta Crystallographica Section E, 2019, 75, 1620-1626
2243131 CIF
HKL
Paper
C2 H10 O8 S2P 1 21/n 15.805; 8.3566; 8.7433
90; 95.148; 90
422.43Mazurek, Jaroslaw; Fernandez-Casares, Ana
The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate
Acta Crystallographica Section E, 2019, 75, 1586-1589
2243132 CIF
HKL
C2 H10 O8 S2P -15.0371; 5.5424; 8.8188
98.426; 104.511; 91.663
235.22Mazurek, Jaroslaw; Fernandez-Casares, Ana
The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate
Acta Crystallographica Section E, 2019, 75, 1586-1589
2243133 CIF
HKL
Paper
C5 H5 Ga N2 O6P -16.6055; 6.883; 8.5178
94.804; 101.306; 108.596
355.44Simões, Andrea B.; Figueira, Flávio; Mendes, Ricardo F.; Barbosa, Jéssica S.; Rocha, João; Paz, Filipe A. Almeida
One-dimensional ladder gallium coordination polymer
Acta Crystallographica Section E, 2019, 75, 1607-1612
2243134 CIF
HKL
C18 H15 N O2P 1 21/c 19.2298; 9.0302; 16.7375
90; 97.863; 90
1381.9Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana
Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
Acta Crystallographica Section E, 2019, 75, 1595-1599
2243135 CIF
HKL
C20 H17 N O2P 1 21 111.072; 3.9664; 17.557
90; 104.5; 90
746.5Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana
Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
Acta Crystallographica Section E, 2019, 75, 1595-1599
2243136 CIF
HKL
Paper
C15.5 H33 N2 O4.5 S4 ZnP 1 21/n 19.604; 22.785; 11.374
90; 106.304; 90
2388.8Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Fritsky, Igor O.
Crystal structure and DFT study of a zinc xanthate complex
Acta Crystallographica Section E, 2019, 75, 1582-1585
2243137 CIF
HKL
C13 H12 N2 O4P 1 21 15.1593; 8.6124; 13.5745
90; 97.087; 90
598.56Siva, V.; Suresh, M.; Athimoolam, S.; Asath Bahadur, S.
Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate
Acta Crystallographica Section E, 2019, 75, 1627-1631
2243138 CIF
HKL
Paper
C13 H30 Cl3 Cu N5 O14P n a 2118.99; 9.364; 13.636
90; 90; 90
2424.8Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.
The first structural characterization of the protonated azacyclam ligand in <i>catena</i>-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]
Acta Crystallographica Section E, 2019, 75, 1700-1704
2243139 CIF
HKL
C29 H22 N4 O3I 1 a 19.6979; 23.6702; 9.9229
90; 92.9125; 90
2274.87Moon, Suk-Hee; Park, Ki-Min; Kim, Jinho; Kang, Youngjin
Crystal structure and luminescence properties of 2-[(2',6'-dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9<i>H</i>-carbazole
Acta Crystallographica Section E, 2019, 75, 1646-1649
2243140 CIF
HKL
Paper
C24 H44 Cl14 Mo6 N6 O4P -19.9813; 10.6074; 12.1686
104.606; 90.709; 103.146
1210.7Johnston, Dean H.; Agho, Ikponmwosa
Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters
Acta Crystallographica Section E, 2019, 75, 1705-1711
2243141 CIF
HKL
Paper
C24 H52 Cl14 Mo6 N8 O6P -110.1752; 10.3227; 13.736
95.204; 111.483; 101.973
1291.1Johnston, Dean H.; Agho, Ikponmwosa
Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters
Acta Crystallographica Section E, 2019, 75, 1705-1711
2243142 CIF
HKL
Paper
C21 H36 Cl14 Mo6 N2 O3P -19.451; 11.236; 11.712
64.933; 71.174; 75.44
1056.7Johnston, Dean H.; Agho, Ikponmwosa
Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters
Acta Crystallographica Section E, 2019, 75, 1705-1711
2243143 CIF
HKL
Paper
C24 H42 Cl14 Mo6 N6 O4P -19.8252; 10.0933; 12.6319
107.395; 91.881; 93.309
1191.8Johnston, Dean H.; Agho, Ikponmwosa
Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters
Acta Crystallographica Section E, 2019, 75, 1705-1711
2243144 CIF
HKL
Paper
C127 H116 Ag3 N11 O2 S3P -114.86462; 19.3714; 19.85451
102.771; 100.827; 99.5778
5345.84Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge
Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate
Acta Crystallographica Section E, 2019, 75, 1657-1663
2243145 CIF
HKL
Paper
C122 H108 Ag2 Br2 Cl12 N8 Se4P -113.6265; 14.7422; 16.9397
106.417; 112.282; 96.2211
2930.05Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge
Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate
Acta Crystallographica Section E, 2019, 75, 1657-1663
2243146 CIF
HKL
Paper
C32 H27 Cu N4 SeP 1 21/c 113.7704; 14.3398; 28.4102
90; 93.024; 90
5602.2Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge
Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate
Acta Crystallographica Section E, 2019, 75, 1657-1663
2243147 CIF
HKL
Paper
C16 H10 Cl N3 O6P 1 21 112.8265; 4.7699; 13.5033
90; 109.713; 90
777.73Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)
Acta Crystallographica Section E, 2019, 75, 1694-1699
2243148 CIF
HKL
Paper
C16 H10 Cl N3 O6P -17.6682; 8.6515; 12.8609
79.17; 78.968; 70.394
781.8Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)
Acta Crystallographica Section E, 2019, 75, 1694-1699
2243149 CIF
HKL
Paper
C22 H16 N4 O2P -16.0464; 11.7175; 13.2931
95.735; 95.813; 101.78
910.16Filali, Mouad; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Ben-Tama, Abdessalam; El Hadrami, El Mestafa; Sebbar, Nada Kheira
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate
Acta Crystallographica Section E, 2019, 75, 1672-1678
2243150 CIFC30 H20 Cl2 O2 SeP 14.9468; 5.8712; 21.353
85.019; 84.094; 86.465
613.68Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali
Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
Acta Crystallographica Section E, 2019, 75, 1724-1728
2243151 CIF
HKL
Paper
C22 H15 Cl2 N O SP 1 21/c 19.0373; 16.6798; 12.511
90; 95.982; 90
1875.6Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; El Ghayati, Lhoussaine; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2<i>Z</i>)-4-benzyl-2-(2,4-dichlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
Acta Crystallographica Section E, 2019, 75, 1650-1656
2243152 CIF
HKL
Paper
C13 H10 Cl N3 O5P 1 21/c 17.4897; 26.3607; 7.0623
90; 96.356; 90
1385.77Bairagi, Keshab M.; Pal, Priyanka; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Chopra, Deepak; Nayak, Susanta K.
Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid
Acta Crystallographica Section E, 2019, 75, 1712-1718
2243153 CIF
HKL
Paper
C16 H11 Cl N2 O2P 1 21/c 16.6658; 30.16; 7.2193
90; 106.088; 90
1394.53Beemarao, M.; Silambarasan, S.; Nasser, A. Jamal Abdul; Purushothaman, M.; Ravichandran, K.
Crystal structure, DFT and Hirshfeld surface analysis of 2-amino-4-(2-chlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran-3-carbonitrile
Acta Crystallographica Section E, 2019, 75, 1638-1642
2243154 CIF
HKL
Paper
C17 H14 N2 OP 1 21/c 110.819; 11.501; 11.187
90; 90.93; 90
1391.8Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine
Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate
Acta Crystallographica Section E, 2019, 75, 1679-1684
2243155 CIF
HKL
Paper
C20 H16 Cl2 N2 O3P 1 21/c 111.273; 12.3808; 14.1405
90; 92.801; 90
1971.2Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine
Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate
Acta Crystallographica Section E, 2019, 75, 1679-1684
2243156 CIF
HKL
Paper
C79 H60.5 N12 O13.25 S4P -112.5451; 15.9804; 19.434
86.671; 72.369; 74.167
3570.9Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.
Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-ones
Acta Crystallographica Section E, 2019, 75, 1689-1693
2243157 CIF
HKL
Paper
C22.5 H17 F N2 O SP 1 21/c 114.4481; 9.0141; 16.3427
90; 115.481; 90
1921.4Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.
Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-ones
Acta Crystallographica Section E, 2019, 75, 1689-1693
2243158 CIF
HKL
Paper
C30 H24 N6 Ni O2 S2P -17.2716; 10.4868; 10.8677
65.54; 88.893; 88.378
754.02Wellm, Carsten; Näther, Christian
Crystal structure, synthesis and thermal properties of bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)nickel(II)
Acta Crystallographica Section E, 2019, 75, 1685-1688
2243159 CIF
HKL
Paper
C21 H15 Cu F6 N2 O5P -19.3167; 10.0363; 11.8052
92.633; 97.31; 98.67
1080Kansiz, Sevgi; Meral, Seher; Dege, Necmi; Agar, Aysen Alaman; Fritsky, Igor O.
Crystal structure and Hirshfeld surface analysis of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate
Acta Crystallographica Section E, 2019, 75, 1729-1733
2243160 CIF
HKL
Paper
C19 H19 N5 O5P 16.9346; 8.438; 16.6963
79.826; 89.848; 80.488
948.03Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Souza, Marcus V. N.; da Costa, Cristiane F.
Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one
Acta Crystallographica Section E, 2019, 75, 1774-1782
2243161 CIF
HKL
Paper
C14 H14 N2 S2P 1 21/c 113.0656; 12.1787; 8.3471
90; 96.154; 90
1320.55Hoffmann, Jonas; Kuczmera, Thomas J.; Lork, Enno; Staubitz, Anne
Synthesis and crystal structure of (<i>E</i>)-1,2-bis[2-(methylsulfanyl)phenyl]diazene
Acta Crystallographica Section E, 2019, 75, 1808-1811
2243162 CIF
HKL
Paper
C24 H24 N2 O6I 1 2/a 116.9368; 15.413; 18.4562
90; 109.254; 90
4548.4Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef
Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate
Acta Crystallographica Section E, 2019, 75, 1753-1758
2243163 CIF
HKL
Paper
C76 H66 N4 Ni2 O9P -113.2138; 14.1981; 17.537
82.696; 80.002; 80.784
3181.6Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.
Crystal structures of two dimeric nickel diphenylacetate complexes
Acta Crystallographica Section E, 2019, 75, 1768-1773
2243164 CIF
HKL
Paper
C95 H81.5 N6.5 Ni2 O11P -115.6064; 17.744; 17.9143
70.462; 69.631; 64.726
4103.17Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.
Crystal structures of two dimeric nickel diphenylacetate complexes
Acta Crystallographica Section E, 2019, 75, 1768-1773
2243165 CIF
HKL
Paper
C8 H8 Cu2 N4 OC 1 2/c 126.84; 4.83; 18.62
90; 119.91; 90
2092.3Partsevska, Sofiia V.; Sirenko, Valerii Y.; Terebilenko, Kateryna V.; Malinkin, Sergey O.; Gural'skiy, Il'ya A.
Crystal structure of <i>catena</i>-poly[[[(2-ethoxypyrazine-κ<i>N</i>)copper(I)]-di-μ~2~-cyanido] [copper(I)-μ~2~-cyanido]]
Acta Crystallographica Section E, 2019, 75, 1797-1800
2243166 CIF
Paper
C17 H17 N O5 ZnP -17.9134; 8.3006; 12.6413
97.873; 91.62; 91.991
821.57Saffon-Merceron, Nathalie; Vigroux, Alain; Hoffmann, Pascal
Crystal structure of a two-dimensional coordination polymer of formula [Zn(NDC)(DEF)] (H~2~NDC is naphthalene-2,6-dicarboxylic acid and DEF is <i>N</i>,<i>N</i>-diethylformamide)
Acta Crystallographica Section E, 2019, 75, 1759-1762
2243167 CIF
Paper
C9 H13 N3 O6 S2P 1 21/n 14.9411; 16.139; 16.426
90; 100.44; 90
1288.2Nehar, Oussama; Louhibi, Samira; Roisnel, Thierry
Synthesis and crystal structure of (<i>E</i>)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate
Acta Crystallographica Section E, 2019, 75, 1738-1740
2243168 CIF
HKL
Paper
C19 H18 O2P 1 21/c 110.9171; 9.1262; 15.2539
90; 108.618; 90
1440.24Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.
Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives
Acta Crystallographica Section E, 2019, 75, 1741-1747
2243169 CIF
HKL
Paper
C20 H20 O2P 1 21/c 112.6208; 14.9969; 8.39151
90; 108.681; 90
1504.61Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.
Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives
Acta Crystallographica Section E, 2019, 75, 1741-1747
2243170 CIF
HKL
Paper
C25 H22 O2P -19.287; 9.8727; 12.2944
67.098; 81.472; 61.989
915.92Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.
Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives
Acta Crystallographica Section E, 2019, 75, 1741-1747
2243171 CIF
HKL
Paper
C18 H15 Cl OP 1 21/n 110.6273; 11.6191; 12.1114
90; 108.777; 90
1415.92Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.
Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives
Acta Crystallographica Section E, 2019, 75, 1741-1747
2243172 CIF
HKL
Paper
C19 H15 N OP 1 21/c 112.4725; 7.1718; 15.9983
90; 106.12; 90
1374.79Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.
Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives
Acta Crystallographica Section E, 2019, 75, 1741-1747
2243173 CIF
HKL
Paper
C14 H22 Cu O16 S2P -16.1907; 7.201; 12.4919
90.31; 94.587; 111.087
517.57Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin
Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts
Acta Crystallographica Section E, 2019, 75, 1801-1807
2243174 CIF
HKL
Paper
C14 H22 Cu O16 S2P -16.438; 7.2431; 12.088
72.6; 77.2; 82.13
523Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin
Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts
Acta Crystallographica Section E, 2019, 75, 1801-1807
2243175 CIF
HKL
Paper
C7 H5 Ag0.69 K0.31 O5 SC 1 2/c 119.436; 15.644; 5.3355
90; 95.651; 90
1614.4Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin
Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts
Acta Crystallographica Section E, 2019, 75, 1801-1807
2243176 CIF
HKL
Paper
C7 H9 Ag0.2 K0.8 O7 SP 1 21/c 112.8018; 9.917; 8.4013
90; 94.747; 90
1062.93Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin
Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts
Acta Crystallographica Section E, 2019, 75, 1801-1807
2243177 CIF
HKL
Paper
C17 H13 Br F N O3 SP -17.6695; 10.6867; 12.2767
64.686; 80.76; 70.395
856.7Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu
Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2<i>H</i>-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2<i>H</i>-thiochromene
Acta Crystallographica Section E, 2019, 75, 1783-1786
2243178 CIF
HKL
Paper
C16 H11 Br F N O3 SP 1 21/c 17.6231; 17.3484; 11.8345
90; 106.016; 90
1504.35Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu
Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2<i>H</i>-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2<i>H</i>-thiochromene
Acta Crystallographica Section E, 2019, 75, 1783-1786
2243179 CIF
HKL
Paper
C13 H14 N2 O3P -16.0828; 9.4246; 11.1724
75.838; 83.099; 84.059
614.7Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2019, 75, 1734-1737
2243180 CIF
HKL
Paper
C36 H40 N4 Ni3 O16P 1 21/n 114.0309; 9.6335; 16.5804
90; 109.23; 90
2116.1Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana; Lundblad, Anders; Lindbergh, Göran; Cabrera, Saul
Crystal structure and Hirshfeld surface analysis of poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network
Acta Crystallographica Section E, 2019, 75, 1839-1843
2243181 CIF
HKL
Paper
C10 H6.02 Eu N1.01 O9P 1 21/c 111.8348; 11.3208; 10.6531
90; 110.275; 90
1338.86Thammakan, Supaphorn; Panyarat, Kitt; Rujiwatra, Apinpus
Organically pillared layer framework of [Eu(NH~2~‒BDC)(ox)(H~3~O)]
Acta Crystallographica Section E, 2019, 75, 1833-1838
2243182 CIF
HKL
Paper
C19 H36 I2 Ir P2 ZnP -19.5353; 10.1962; 14.6331
95.975; 91.255; 114.847
1280.58Taullaj, Fioralba; Lough, Alan J.; Fekl, Ulrich
An iridium complex with an unsupported Ir—Zn bond: diiodido(η^5^-pentamethylcyclopentadienyl)bis(trimethylphosphane)iridiumzinc(<i>Ir</i>—<i>Zn</i>) benzene hemisolvate
Acta Crystallographica Section E, 2019, 75, 1824-1827
2243183 CIF
HKL
Paper
C20 H26 N2 O9 SP 1 21 111.4868; 8.6444; 11.5561
90; 91.3762; 90
1147.15Abu-Zaied, Mamdouh A.; Elgemeie, Galal H.; Jones, Peter G.
Crystal structure of 4,6-dimethyl-2-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]pyrimidine
Acta Crystallographica Section E, 2019, 75, 1820-1823
2243184 CIF
HKL
Paper
C20 H22 N8 O2P 1 21/c 113.2904; 10.2785; 14.4968
90; 100.254; 90
1948.71Byun, Young Min; Ume, Farwa; Ryu, Ji Yeon; Lee, Junseong; Park, Hyoung-Ryun
Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2<i>H</i>-tetrazol-2-yl]butane
Acta Crystallographica Section E, 2019, 75, 1844-1847
2243185 CIF
HKL
Paper
C14 H10 N2 OP 1 21/c 112.634; 4.9426; 16.778
90; 100.53; 90
1030.1Grathwol, Christoph W.; Chrysochos, Nicolas; Elvers, Benedict J.; Link, Andreas; Schulzke, Carola
Crystal structure of benzo[<i>h</i>]quinoline-3-carboxamide
Acta Crystallographica Section E, 2019, 75, 1828-1832
2243186 CIF
HKL
Paper
C16 H11 Cl N2 O5P b c n12.6336; 7.0701; 33.5956
90; 90; 90
3000.8Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate
Acta Crystallographica Section E, 2019, 75, 1853-1856
2243187 CIF
HKL
Paper
C30 H44 O2 Si Zr2F d d 221.673; 28.296; 9.7466
90; 90; 90
5977Berg, David J.; Gajecki, Leah; Hill, Hunter; Twamley, Brendan
(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]
Acta Crystallographica Section E, 2019, 75, 1848-1852
2243188 CIF
HKL
C26 H29 O5.5P 1 21 112.4711; 12.0986; 13.7645
90; 91.742; 90
2075.87Kenfack Tsobnang, Patrice; Tsamo Tontsa, Armelle; Mkounga, Pierre; Ephrem Nkengfack, Augustin; Tonlé Kenfack, Ignas
Crystal structure of limonoid TS3, isolated from <i>Trichilia rubescens</i>
Acta Crystallographica Section E, 2018, 74, 1083-1086
2243189 CIF
HKL
Paper
C15 H17 Br N4 O SP 1 21 15.8515; 7.5304; 18.859
90; 93.979; 90
829Akkurt, Mehmet; Maharramov, Abel M.; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-5-phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate
Acta Crystallographica Section E, 2018, 74, 1290-1294
2243190 CIF
HKL
Paper
C30 H34 N2 O9P -19.1172; 10.3752; 14.7482
89.044; 86.658; 82.896
1381.9Tran, Thi Thanh Van; Le, Tuan Anh; Truong, Hong Hieu; Dao, Thi Nhung; Soldatenkov, Anatoly T.; Khrustalev, Victor N.
One-pot synthesis of (1<i>RS</i>,21<i>SR</i>)-diethyl 2-[23-amino-22-ethoxycarbonyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18,22-heptaen-25-yl]but-2-endioate
Acta Crystallographica Section E, 2018, 74, 1281-1284
2243191 CIF
HKL
C12 H6 N4P 1 21/c 122.5144; 13.1601; 13.2652
90; 93.4509; 90
3923.24Jung, Seoulgi; Park, Ki-Min; Kim, Jinho; Kang, Youngjin
Crystal structure of 2,3'-bipyridine-2',6'-dicarbonitrile
Acta Crystallographica Section E, 2018, 74, 1272-1275
2243192 CIF
HKL
Paper
C31 H23 N OP 1 21/c 19.3038; 15.0166; 16.117
90; 99.286; 90
2222.2Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one
Acta Crystallographica Section E, 2018, 74, 1302-1308
2243193 CIF
HKL
Paper
C35 H23 N OP 1 21/c 118.019; 29.214; 9.5503
90; 97.637; 90
4982.8Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one
Acta Crystallographica Section E, 2018, 74, 1302-1308
2243194 CIF
HKL
Paper
C8 H10 Br NP 1 21/c 116.4359; 5.1917; 20.5792
90; 110.748; 90
1642.15Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.
A structural study of 2,4-dimethylaniline derivatives
Acta Crystallographica Section E, 2018, 74, 1276-1280
2243195 CIF
HKL
C20 H26 N2P 1 21 17.6563; 13.2685; 8.3688
90; 96.968; 90
843.89Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.
A structural study of 2,4-dimethylaniline derivatives
Acta Crystallographica Section E, 2018, 74, 1276-1280
2243196 CIF
HKL
Paper
C11 H11 N O4 SP 1 c 17.8367; 9.6842; 7.5006
90; 93.468; 90
568.19Shishkina, Svitlana; Ukrainets, Igor; Hamza, Ganna; Grinevich, Lina
Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate
Acta Crystallographica Section E, 2018, 74, 1299-1301
2243197 CIF
HKL
Paper
C12 H17 N4 O6 PP m n 2122.9297; 4.591; 7.09
90; 90; 90
746.37Fábry, Jan
Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate
Acta Crystallographica Section E, 2018, 74, 1295-1298
2243198 CIF
HKL
Paper
C18 H22 N2 O4 S4 ZnC 1 2/c 122.869; 8.3212; 12.5627
90; 115.348; 90
2160.5Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Safyanova, Inna S.
Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2'-bipyridine ligand
Acta Crystallographica Section E, 2019, 75, 1857-1860
2243199 CIF
HKL
Paper
C10 H10 N2 O SP 1 21/c 16.9932; 16.2916; 9.3544
90; 110.168; 90
1000.4Daoui, Said; Çınar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine
Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2019, 75, 1880-1883
2243200 CIF
HKL
Paper
C12 H10 O4P b c a9.4973; 7.9733; 26.682
90; 90; 90
2020.5Gonzalez-Carrillo, Gabino; Muñiz-Valencia, Roberto; García-Báez, Efren V.; Martínez-Martínez, Francisco J.
Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2<i>H</i>-chromen-2-one
Acta Crystallographica Section E, 2019, 75, 1866-1870
2243201 CIF
HKL
Paper
C24 H21 Cr N8 S4P m c 2110.1068; 8.8168; 16.2628
90; 90; 90
1449.17Neumann, Tristan; Jess, Inke; Näther, Christian
Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate
Acta Crystallographica Section E, 2019, 75, 1875-1879
2243202 CIF
HKL
Paper
C17 H21 N O4 SP 1 21/c 115.6801; 7.4311; 15.5968
90; 111.424; 90
1691.77Vu Quoc, Trung; Tran Thi Thuy, Duong; Phung Ngoc, Thanh; Vu Quoc, Manh; Nguyen, Hien; Duong Khanh, Linh; Tu Quang, Anh; Van Meervelt, Luc
Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section E, 2019, 75, 1861-1865
2243203 CIF
HKL
Paper
C78 H126 Eu O18 P3P 1 21/c 123.401; 10.6604; 33.543
90; 91.964; 90
8362.9Kalugin, Alexey E.; Lyssenko, Konstantin A.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Puntus, Lada N.; Varaksina, Evgenia A.; Nifant'ev, Ilya E.
Crystal structure of tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)europium methanol monosolvate
Acta Crystallographica Section E, 2019, 75, 1892-1896
2243204 CIF
Paper
Al2 H12 N3 O12 P3P n a 218.98884; 17.01605; 8.67653
90; 90; 90
1327.11Nicholas, Christopher P.; Mowat, John P.S.; Broach, Robert W.
Structure refinement of (NH~4~)~3~Al~2~(PO~4~)~3~ prepared by ionothermal synthesis in phosphonium based ionic liquids ‒ a redetermination
Acta Crystallographica Section E, 2019, 75, 1897-1901
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

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