Crystallography Open Database

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2022294 CIF
HKL
Paper
C11 H22 Br2 N4P 1 21/n 18.7897; 14.8937; 11.1294
90; 101.742; 90
1426.47Mulrooney, David Z. T.; Müller-Bunz, Helge; Keene, Tony D.
Crystal structure and halogen‒hydrogen bonding of a Delépine reaction intermediate
Acta Crystallographica Section E Crystallographic Communications, 2021, 77, 1-4
2022339 CIF
HKL
Paper
C36 H74.68 Cl32 Cu32 N12 O25.97 S12C 1 2 129.4665; 22.1299; 28.9371
90; 97.3964; 90
18712.6Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery
Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters
Acta Crystallographica Section E Crystallographic Communications, 2021, 77, 324-330
2022377 CIF
Paper
Mg O7 V2 ZnC 1 2/m 110.32882; 8.50126; 9.30814
90; 98.5748; 90
808.193Hong, Stephanie J.; Li, Jun; Subramanian, Mas A.
Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data
Acta Crystallographica Section E Crystallographic Communications, 2021, 77, 588-591
2022386 CIF
HKL
Paper
H2 Hg I3 K OP n a 218.581; 9.2648; 11.4073
90; 90; 90
906.89Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises
Refinement of K[HgI3]·H2O using non-spherical atomic form factors
Acta Crystallographica Section E Crystallographic Communications, 2021, 77, 681-685
2022437 CIF
HKL
Paper
C68 H113.12 Cl2 N18 O10 Th6C 1 2/m 117.6783; 17.2647; 16.383
90; 121.867; 90
4246.6Kelley, Steven P.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.
Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete molecular capsule built from multinuclear organothorium cluster cations
Acta Crystallographica Section E Crystallographic Communications, 2021, 77
2022482 CIF
HKL
Paper
C17 H7 F8 N3 OP 21 21 216.7605; 15.065; 16.0849
90; 90; 90
1638.2Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman
Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone
Acta Crystallographica Section E Crystallographic Communications, 2021, 77
2022483 CIF
HKL
Paper
C15 H21 N O5 S SeP 1 21 110.4266; 6.0539; 14.2168
90; 90.261; 90
897.38Rajegowda, H. R.; Suchetan, P. A.; Butcher, R. J.; Raghavendra Kumar, P.
Synthesis and absolute structure of (R)-2-(benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate: crystal structure and Hirshfeld surface analyses
Acta Crystallographica Section E Crystallographic Communications, 2021, 77
2243692 CIF
HKL
Paper
C18 H19 F N2 O2P 21 21 217.3286; 11.3388; 20.304
90; 90; 90
1687.21Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243693 CIF
HKL
Paper
C18 H19 Cl N2 O2P c a 2129.769; 11.3173; 20.4028
90; 90; 90
6873.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243694 CIF
HKL
Paper
C18 H19 Br N2 O2P c a 2115.0779; 11.2868; 20.5297
90; 90; 90
3493.8Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243695 CIF
HKL
Paper
C18 H19 I N2 O2P 1 21/c 110.9626; 11.3258; 14.8234
90; 104.52; 90
1781.69Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243696 CIF
HKL
Paper
C18 H19 I N2 O2P 21 21 217.4528; 17.1306; 27.903
90; 90; 90
3562.4Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243697 CIF
HKL
Paper
C18 H19 F N2 O2P 1 21/n 17.451; 11.199; 19.138
90; 99.59; 90
1574.6Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions
Acta Crystallographica Section E, 2021, 77, 5-13
2243698 CIF
HKL
Paper
C16 H14 N2 OP 1 21/n 19.2572; 9.0531; 15.0557
90; 99.329; 90
1245.1Al Ati, Gamal; Chkirate, Karim; Mashrai, Ashraf; Mague, Joel T.; Ramli, Youssef; Achour, Redouane; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and DFT study of 1-ethyl-3-phenyl-1,2-dihydroquinoxalin-2-one
Acta Crystallographica Section E, 2021, 77, 18-22
2243699 CIF
HKL
Paper
C19 H14 Cl2 N2 OP 1 21/n 110.1306; 10.7019; 15.7749
90; 97.715; 90
1694.78Daoui, Said; Cinar, Emine Berrin; Dege, Necmi; Chelfi, Tarik; El Kalai, Fouad; Abudunia, Abdulmalik; Karrouchi, Khalid; Benchat, Noureddine
Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 23-27
2243700 CIF
HKL
Paper
C10 H11 N5 O7P -16.6864; 8.1857; 12.649
79.424; 85.583; 75.586
658.78Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243701 CIF
HKL
Paper
C14 H18 N6 O8P 1 21/c 18.541; 14.0507; 7.5137
90; 98.827; 90
891.02Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243702 CIF
HKL
Paper
C3 H6 N4 O3P n a 217.27; 9.907; 8.551
90; 90; 90
615.9Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate
Acta Crystallographica Section E, 2021, 77, 34-41
2243703 CIF
HKL
Paper
C20 H21 N3 O7P 1 21/c 16.0686; 19.2791; 16.3795
90; 94.185; 90
1911.2Bouzian, Younos; Baydere, Cemile; Dege, Necmi; Ahabchane, Noureddine Hamou; Mague, Joel T.; Abudunia, Abdulmalik; Karrouchi, Khalid; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
Acta Crystallographica Section E, 2021, 77, 28-33
2243704 CIF
HKL
Paper
C53 H38 Cl8 Cu4 N4 OP -112.7166; 14.4366; 16.4038
105.024; 105.935; 102.999
2650.82Al Balushi, Rayya A.; Khan, Muhammad S.; Faizi, Md. Serajul Haque; Haque, Ashanul; Molloy, Kieran; Raithby, Paul R.
Synthesis and structural characterization of hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis{[4-(phenylethynyl)pyridine-κ<i>N</i>]copper(II)} dichloromethane monosolvate
Acta Crystallographica Section E, 2021, 77, 42-46
2243705 CIF
HKL
Paper
C13 H12 N2 O2P n a 218.284; 8.006; 31.637
90; 90; 90
2098.2Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin
Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one
Acta Crystallographica Section E, 2021, 77, 47-51
2243706 CIF
HKL
Paper
C22 H18 Cl2 N P PdC 1 2/c 113.8153; 15.5676; 18.9683
90; 108.733; 90
3863.4Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi
Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline
Acta Crystallographica Section E, 2021, 77, 52-57
2243707 CIF
HKL
C27 H20 Cl2 N P PdP -19.6582; 9.8765; 13.0748
102.011; 90.426; 109.827
1143.4Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi
Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline
Acta Crystallographica Section E, 2021, 77, 52-57
2243708 CIF
Paper
Al H16 N O15 SP -16.088; 7.377; 13.721
77.34; 89.561; 82.712
596.3Svensson, Fredric G.
Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
Acta Crystallographica Section E, 2021, 77, 58-61
2243709 CIF
Paper
Al Cl H14 O11 SP 1 21/c 16.164; 22.933; 7.2876
90; 97.328; 90
1021.8Svensson, Fredric G.
Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
Acta Crystallographica Section E, 2021, 77, 58-61
2243710 CIF
HKL
Paper
C14 H13 N O2C 1 2/c 124.3559; 10.7032; 8.9667
90; 93.22; 90
2333.8Akduran, Nurcan
Crystal structure of 2-hydroxy-2-phenylacetophenone oxime
Acta Crystallographica Section E, 2021, 77, 66-69
2243711 CIF
HKL
Paper
H6 K2 Mg3 O16 S3C m c 2117.8228; 7.4879; 9.7686
90; 90; 90
1303.7Weil, Matthias
Redetermination of K~2~Mg~3~(OH)~2~(SO~4~)~3~(H~2~O)~2~ from single-crystal X-ray data revealing the correct hydrogen-atom positions
Acta Crystallographica Section E, 2021, 77, 62-65
2243712 CIF
HKL
Paper
C30 H44 Ca N6 O6 S2P -18.6686; 10.519; 18.998
75.488; 76.847; 80.905
1623.7Butcher, Ray J.; Purdy, Andrew P.; Brown, Paul A.; Gunlycke, Daniel
Synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from 1-methylpyrrolidin-2-one
Acta Crystallographica Section E, 2021, 77, 70-74
2243713 CIF
HKL
Paper
C17 H14 O5I 1 2 118.9581; 6.6461; 22.4043
90; 94.163; 90
2815.4Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat
Isolation and crystal structure of lawinal
Acta Crystallographica Section E, 2021, 77, 75-78
2243714 CIF
Paper
C29 H26 N4 O6P -17.8576; 12.3468; 14.1147
94.295; 104.603; 101.042
1289.6Holmberg, Ryne; Franz, Vanessa; Moser, Kristen M.; Solano, Ricardo; Moore, Curtis; Rheingold, Arnold L.; Smith, Gary L. N.
Crystal structure of 2,2'-{[(2-nitrobenzyl)azanediyl]bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]
Acta Crystallographica Section E, 2021, 77, 83-85
2243715 CIF
HKL
Paper
C6 H7 Cl2 N O SnP 1 21/c 111.7934; 9.4895; 8.617
90; 106.455; 90
924.86Henkel, Felix; Reuter, Hans
Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2021, 77, 91-95
2243716 CIF
HKL
C12 H14 Cl2 N2 O2 SnP b c n19.9848; 10.3723; 14.4644
90; 90; 90
2998.3Henkel, Felix; Reuter, Hans
Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2021, 77, 91-95
2243717 CIF
HKL
Paper
C16 H11 N3P 1 21/c 113.5479; 5.0242; 17.3881
90; 101.382; 90
1160.29Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243718 CIF
HKL
C17 H13 N3P 1 21/c 17.5095; 12.1216; 13.5616
90; 92.547; 90
1233.25Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243719 CIF
HKL
C18 H16 I N3P 1 21/n 19.8821; 9.7125; 17.9839
90; 103.676; 90
1677.16Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.
Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Acta Crystallographica Section E, 2021, 77, 96-100
2243720 CIF
HKL
Paper
C20 H19 N O5P -18.81; 9.9182; 11.165
81.205; 70.657; 72.642
877Zaytsev, Vladimir P.; Chervyakova, Lala V.; Sorokina, Elena A.; Vasilyev, Kirill A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of ethyl (4<i>R</i>,4a<i>S</i>)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylate
Acta Crystallographica Section E, 2021, 77, 86-90
2243721 CIF
HKL
Paper
C19 H24 N2 O6P 1 21 17.9555; 13.3696; 9.9708
90; 112.874; 90
977.12Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243722 CIF
HKL
Paper
C20 H24 N2 O6P 1 21 17.9702; 14.1788; 9.8035
90; 113.394; 90
1016.8Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243723 CIF
HKL
Paper
C44 H52 N4 O12C 1 2/c 123.6642; 8.4204; 23.4002
90; 111.614; 90
4334.9Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug
Acta Crystallographica Section E, 2021, 77, 101-106
2243724 CIF
HKL
Paper
C20 H20 B2 F4 N4P n m a20.2495; 6.8046; 13.4969
90; 90; 90
1859.73Liu, Xiaoxue; Li, Tuo; Yin, Zhenming
Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]
Acta Crystallographica Section E, 2021, 77, 126-129
2243725 CIF
HKL
Paper
C28 H27 N3 O3 SP 1 21/n 112.0487; 13.9821; 15.0239
90; 106.606; 90
2425.46Al-Taifi, Elham A.; Maraei, Islam S.; Bakhite, Etify A.; Demirtas, Güneş; Mague, Joel. T.; Mohamed, Shaaban K.; Ramli, Youssef
Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hydroxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-<i>N</i>-phenylacetamide
Acta Crystallographica Section E, 2021, 77, 121-125
2243726 CIF
HKL
Paper
C11 H12 N6 O2C 1 2/c 127.7311; 7.1747; 11.7849
90; 94.101; 90
2338.7Heras Martinez, Hector Mario; Chavez Flores, David; Hillesheim, Patrick C.; Patil, Siddappa; Bugarin, Alejandro
Crystal structure and spectroscopic properties of (<i>E</i>)-1,3-dimethyl-2-[3-(4-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole
Acta Crystallographica Section E, 2021, 77, 130-133
2243727 CIF
HKL
Paper
C8 H3 Cl F3 N O4P -14.7297; 7.8993; 13.044
91.57; 96.51; 104.79
467.35Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones
Acta Crystallographica Section E, 2021, 77, 142-147
2243728 CIF
HKL
Paper
C8 H4 Cl F3 N2 O3P 1 21/c 18.3012; 28.23; 9.1522
90; 110.424; 90
2009.9Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones
Acta Crystallographica Section E, 2021, 77, 142-147
2243729 CIF
HKL
Paper
C30 H36 N2 Na2 O10P -18.5404; 9.0144; 21.6217
92.922; 98.873; 113.038
1502.1Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Chuev, Vladimir P.
Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium
Acta Crystallographica Section E, 2021, 77, 134-137
2243730 CIF
HKL
Paper
C12 H9 N3 O4 SP 21 21 217.1335; 11.7297; 15.4593
90; 90; 90
1293.54Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdoğan; Arslanhan, Ali; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline
Acta Crystallographica Section E, 2021, 77, 138-141
2243731 CIF
HKL
Paper
C26 H22 Cd N8 O4A e a 212.6654; 17.6394; 10.888
90; 90; 90
2432.49Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan
Crystal structure of bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)
Acta Crystallographica Section E, 2021, 77, 153-157
2243732 CIF
HKL
Paper
C24 H36 Cl2 F2 N6 Ni O8C 1 2/c 116.991; 15.5187; 13.8864
90; 126.189; 90
2955.1Kwak, Chee-Hun; Chang, Mee
Crystal structure of [3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) diperchlorate
Acta Crystallographica Section E, 2021, 77, 148-152
2243733 CIF
HKL
Paper
C18 H25 B O2 SnC 1 2/c 130.1386; 11.2948; 16.4726
90; 139.457; 90
3644.9Breitwieser, Kevin; Chen, Peter
Crystal structure of a 1,1-dibutyl-1<i>H</i>,3<i>H</i>-naphtho[1,8-<i>cd</i>][1,2,6]oxastannaborinin-3-ol
Acta Crystallographica Section E, 2021, 77, 180-183
2243734 CIF
HKL
Paper
C30 H43 O2 PP -19.616; 15.8209; 19.0324
71.2052; 85.1144; 87.9801
2731Carsch, Kurtis M.; Ho, William; Lui, Kai Hin; Valtierra, Gregory; Dogutan, Dilek K.; Nocera, Daniel G.; Zheng, Shao-Liang
Crystal structure of the RuPhos ligand
Acta Crystallographica Section E, 2021, 77, 171-174
2243735 CIF
HKL
Paper
C27 H22 F2 O4P -110.14886; 11.1827; 11.6411
66.724; 77.693; 63.613
1086.06Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Yonezawa, Noriyuki; Okamoto, Akiko
Crystal structure of 1,2-bis(4-fluorophenyl)-1-hydroxy-2,3,8-trimethoxyacenaphthene: formation of a five-membered intramolecular O—H···O hydrogen-bonded ring
Acta Crystallographica Section E, 2021, 77, 175-179
2243736 CIF
HKL
Paper
C24 H21 N O4C 1 c 120.3693; 10.0956; 39.1991
90; 98.443; 90
7973.6Nguyen Tien, Cong; Vu Quoc, Trung; Nguyen Dang, Dat; Le Duc, Giang; Van Meervelt, Luc
Synthesis and structure of (<i>E</i>)-<i>N</i>-(4-methoxyphenyl)-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide
Acta Crystallographica Section E, 2021, 77, 184-189
2243737 CIF
HKL
Paper
C16 H22 N2 O3P 1 21/n 17.7368; 12.1233; 17.5528
90; 102.154; 90
1609.47Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243738 CIF
HKL
C15 H23 I N2 OP 1 21/n 17.5067; 22.657; 10.0894
90; 97.225; 90
1702.4Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243739 CIF
HKL
C15 H25 I N2 O2P 1 21/c 110.9091; 14.091; 11.4029
90; 100.338; 90
1724.4Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads
Acta Crystallographica Section E, 2021, 77, 190-194
2243740 CIF
HKL
Paper
C28 H21 N3 OP 21 21 2110.7038; 11.6096; 17.5182
90; 90; 90
2176.93Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile
Acta Crystallographica Section E, 2021, 77, 195-199
2243741 CIF
HKL
C25 H27 Cl N4 OP -18.4791; 10.4091; 13.6862
90.138; 94.833; 113.745
1100.9Ullah, Nisar; Stoeckli-Evans, Helen
Crystal structure and Hirshfeld surface analysis of the hydrochloride salt of 8-{4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 208-212
2243742 CIF
HKL
Paper
C22 H56 Cl4 N4 O4P 1 21/n 17.655; 23.533; 8.313
90; 102.45; 90
1462.3Moon, Dohyun; Choi, Jong-Ha
Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate from synchrotron X-ray data
Acta Crystallographica Section E, 2021, 77, 213-216
2243743 CIF
HKL
Paper
C20 H19 N3 O4C 1 2/c 133.888; 14.9497; 8.2021
90; 94.447; 90
4142.8Arderne, Charmaine; Fotsing, Marthe Carine Djuide; Ndinteh, Derek Tantoh
Synthesis and structure of 4-{[(<i>E</i>)-(7-methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one
Acta Crystallographica Section E, 2021, 77, 200-203
2243744 CIF
HKL
Paper
C4 H8 O4 S2P 1 n 14.9472; 9.9021; 7.1002
90; 91.464; 90
347.71Harlow, Richard L.; Oliver, Allen G.; Sammes, Michael P.
C—H···O contacts in the crystal structure of 1,3-dithiane 1,1,3,3-tetraoxide
Acta Crystallographica Section E, 2021, 77, 204-207
2243745 CIF
HKL
Paper
C20 H27 NP 21 21 2110.05103; 10.62943; 15.64759
90; 90; 90
1671.74Acelas, Mauricio; Dugarte-Dugarte, Analio; Romero Bohórquez, Arnold R.; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela
Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of <i>trans</i>-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine
Acta Crystallographica Section E, 2021, 77, 226-232
2243746 CIF
HKL
Paper
C54 H80 N8 O6P 1 21/c 113.8395; 20.0443; 9.6347
90; 102.8; 90
2606.3Amrhein, Felix; Schwarzer, Anke; Mazik, Monika
Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
Acta Crystallographica Section E, 2021, 77, 233-236
2243747 CIF
HKL
Paper
C15 H15 Br2 N O2P -16.8064; 9.5045; 11.9482
79.551; 87.82; 77.083
740.89Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Chervyakova, Lala V.; Grigoriev, Mikhail S.; Shelukho, Evgeniya R.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one
Acta Crystallographica Section E, 2021, 77, 237-241
2243748 CIF
HKL
Paper
C20 H19 N3 O2P 1 21/c 113.8467; 15.8409; 8.0225
90; 104.814; 90
1701.2Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide
Acta Crystallographica Section E, 2021, 77, 242-246
2243749 CIF
HKL
Paper
C22 H21 N3 OP 1 21/c 114.3493; 15.7501; 8.3737
90; 106.285; 90
1816.55Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide
Acta Crystallographica Section E, 2021, 77, 242-246
2243750 CIF
HKL
Paper
C27 H33 N O5P 1 21/n 19.5289; 18.6653; 13.8046
90; 96.41; 90
2439.93Allah, Omyma A. A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Elgarhy, Sahar M. I.
Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate
Acta Crystallographica Section E, 2021, 77, 247-250
2243751 CIF
HKL
Paper
C15 H15 Br2 N O2P 1 21/n 117.4839; 8.2993; 21.512
90; 106.115; 90
2998.83Mertsalov, Dmitriy F.; Zaytsev, Vladimir P.; Pokazeev, Kuzma M.; Grigoriev, Mikhail S.; Bachinsky, Alexander V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one
Acta Crystallographica Section E, 2021, 77, 255-259
2243752 CIF
HKL
Paper
C24 H24 N2 O5 SP -111.821; 11.8395; 16.7336
77.949; 79.555; 77.511
2213.3Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Sorokina, Elena A.; Vinokurova, Marina A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of (<i>RS</i>)-3-hydroxy-2-{[(3a<i>RS</i>,6<i>RS</i>,7a<i>RS</i>)-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindol-6-yl]methyl}isoindolin-1-one
Acta Crystallographica Section E, 2021, 77, 260-265
2243753 CIF
HKL
Paper
C14 H12 Cu N2 O6P -17.6516; 9.9272; 10.0722
95.204; 107.729; 111.462
660.34Gao, Sen; Fronczek, Frank R.; Maverick, Andrew W.
A copper complex of an unusual hydroxy‒carboxylate ligand: [Cu(bpy)(C~4~H~4~O~6~)]
Acta Crystallographica Section E, 2021, 77, 282-285
2243754 CIF
HKL
Paper
C8 H14 O2P 1 21/n 16.2758; 23.6912; 7.776
90; 91.21; 90
1155.9Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger
Threefold helical assembly <i>via</i> hydroxy hydrogen bonds: the 2:1 co-crystal of bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol and bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol
Acta Crystallographica Section E, 2021, 77, 270-276
2243755 CIF
HKL
Paper
C26 H20 N2 O3C 1 2/c 126.8396; 5.1174; 17.2574
90; 121.764; 90
2015.27Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.
Crystal structure and Hirshfeld surface analysis of 3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol
Acta Crystallographica Section E, 2021, 77, 266-269
2243756 CIF
HKL
Paper
C21 H16 F N3 O3 SP 1 21/c 118.3849; 7.7063; 13.9216
90; 100.136; 90
1941.6Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.
Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
Acta Crystallographica Section E, 2021, 77, 277-281
2243757 CIF
HKL
C22 H18 F N3 O4 SC 1 2/c 147.298; 4.8054; 18.4939
90; 100.429; 90
4134Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.
Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
Acta Crystallographica Section E, 2021, 77, 277-281
2243758 CIF
HKL
Paper
C23 H31 N3 O2 S SnP 1 21/n 111.272; 16.1954; 14.2778
90; 111.18; 90
2430.41Yusof, Enis Nadia Md; Kwong, Huey Chong; Karunakaran, Thiruventhan; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T.
Di-<i>n</i>-butyl[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)-<i>N</i>-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study
Acta Crystallographica Section E, 2021, 77, 286-293
2243759 CIF
HKL
Paper
C22 H22 Cl N3 O4 SP -18.6739; 10.549; 12.4021
91.351; 101.065; 97.235
1103.51Shyshkina, Mariia O.; Lega, Dmitry A.; Goryachiy, Volodymyr D.; Shemchuk, Ludmila M.; Levashov, Dmitriy V.; Shemchuk, Leonid A.
2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1<i>H</i>-benzo[<i>c</i>][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis
Acta Crystallographica Section E, 2021, 77, 294-297
2243760 CIF
HKL
Paper
C14 H21.61 K4 N8 Ni2 O18.81P b c a15.0694; 16.9659; 22.192
90; 90; 90
5673.74Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U.
Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]
Acta Crystallographica Section E, 2021, 77, 298-304
2243761 CIF
HKL
Paper
C17 H20 Cl N O5P 1 21/c 114.654; 8.9148; 13.045
90; 102.581; 90
1663.2Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward
Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
Acta Crystallographica Section E, 2021, 77, 314-318
2243762 CIF
HKL
Paper
C19 H24 Cl N O5P 1 21/c 114.6986; 10.6309; 25.131
90; 90.1851; 90
3926.9Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward
Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide
Acta Crystallographica Section E, 2021, 77, 314-318
2243763 CIF
HKL
Paper
C24 H22 Cu3 N4 O16P -17.8669; 9.71; 10.424
97.016; 110.701; 109.049
678.2Mirzaei, Masoud; Bazargan, Maryam; Ebtehaj, Pouria; Mague, Joel T.
A redetermination of the structure and Hirshfeld surface analysis of poly[diaquadi-μ-hydroxido-tetrakis(μ-nicotinato <i>N</i>-oxide)tricopper(II)]
Acta Crystallographica Section E, 2021, 77, 309-313
2243764 CIF
HKL
Paper
C23 H19 Br N4 O2P 1 21/c 110.7812; 12.7877; 15.4575
90; 109.635; 90
2007.2Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N.
Crystal structure of 2-[(<i>E</i>)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole: the first example of a structurally characterized triarylazoimidazole
Acta Crystallographica Section E, 2021, 77, 305-308
2243765 CIF
HKL
Paper
C17 H19 N O4P 1 21/c 113.72487; 13.05333; 8.5597
90; 95.522; 90
1526.4Nowatschin, Vanessa; Näther, Christian; Lüning, Ulrich
Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate
Acta Crystallographica Section E, 2021, 77, 331-334
2243766 CIF
HKL
Paper
C23 H21 Cl N2 O3P b c a27.9446; 8.4311; 35.0101
90; 90; 90
8248.51Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.
Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Acta Crystallographica Section E, 2021, 77, 351-355
2243767 CIF
HKL
Paper
C24 H22 N2 O3P 1 21/c 110.3486; 13.9969; 27.5353
90; 93.797; 90
3979.69Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.
Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Acta Crystallographica Section E, 2021, 77, 351-355
2243768 CIF
HKL
Paper
C25 H23 N5 O S2P -18.6269; 9.8418; 14.9
90.588; 106.162; 101.441
1188.05Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243769 CIF
HKL
Paper
C48 H40 Cl4 N10 O3 S4P 1 2/c 115.037; 8.4266; 19.471
90; 96.246; 90
2452.5Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243770 CIF
HKL
Paper
C31 H27 N5 O4 S2P -110.783; 11.683; 13.577
93.54; 105.17; 113.2
1490.9Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243771 CIF
HKL
Paper
C32 H22 Br Cl2 N5 O S2P -112.32; 12.57; 12.7742
117.202; 102.879; 105.727
1548.4Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products
Acta Crystallographica Section E, 2021, 77, 335-340
2243772 CIF
HKL
Paper
C24 H20 Cl N O2P 1 21/c 110.5733; 22.848; 8.7151
90; 101.477; 90
2063.3Aydin, Abdullah; Akkurt, Mehmet; Turanli, Sumeyye; Lengerli, Deniz; Banoglu, Erden; Ozcelik, Nefise Dilek
Crystal structure and Hirshfeld surface analysis of 4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole
Acta Crystallographica Section E, 2021, 77, 346-350
2243773 CIF
HKL
Paper
C20 H27 F N2 O2P 1 21 110.2576; 9.5127; 10.5318
90; 104.691; 90
994.07Gumireddy, Ashwini; DeBoyace, Kevin; Rupprecht, Alexander; Gupta, Mohit; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.
Crystal structure of <i>tert</i>-butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate
Acta Crystallographica Section E, 2021, 77, 360-365
2243774 CIF
HKL
Paper
C12 H10 Br N O3 SP 21 21 214.8436; 13.9149; 18.5479
90; 90; 90
1250.1Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243775 CIF
HKL
C13 H11 Br N2 O4 SP -16.8904; 8.3224; 12.8763
83.423; 80.393; 85.693
722.06Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243776 CIF
HKL
C19 H23 Br N2 O5 SP 1 21/c 17.7375; 15.9728; 16.7621
90; 93.055; 90
2068.68Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one
Acta Crystallographica Section E, 2021, 77, 341-345
2243777 CIF
HKL
Paper
C33 H26 N4 O4P -111.5014; 11.534; 11.7878
73.567; 74.613; 64.218
1332.1Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; El-Emary, Talaat I.; Akkurt, Mehmet; Elgarhy, Sahar M. I.
Crystal structure and Hirshfeld surface analysis of (3<i>S</i>,3a<i>R</i>,6a<i>S</i>)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2<i>H</i>-pyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione
Acta Crystallographica Section E, 2021, 77, 356-359
2243778 CIF
HKL
Paper
C100 H88.32 N8 O12.16 S4P 1 21/c 112.049; 20.223; 9.1743
90; 100.91; 90
2195.1Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-<i>N</i>-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate
Acta Crystallographica Section E, 2021, 77, 366-371
2243779 CIF
HKL
C27 H30 N2 OP -17.7099; 11.2838; 12.9539
89.413; 79.094; 82.27
1096.41Ullah, Nisar; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline
Acta Crystallographica Section E, 2021, 77, 372-377
2243780 CIF
HKL
C26 H29 N3 OP -17.9142; 10.9051; 12.8896
87.271; 79.29; 82.206
1082.7Ullah, Nisar; Stoeckli-Evans, Helen
The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline
Acta Crystallographica Section E, 2021, 77, 372-377
2243781 CIF
HKL
Paper
C9 H7 N O2 SP 1 21/c 110.466; 12.1614; 14.7636
90; 110.362; 90
1761.71Laroum, Rima; Benouatas, Assia; Hamdouni, Noudjoud; Zemamouche, Wissame; Boudjada, Ali; Debache, Abdelmadjid
Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-3-methyl-4-(thiophen-2-ylmethylidene)isoxazol-5(4<i>H</i>)-one
Acta Crystallographica Section E, 2021, 77, 378-382
2243782 CIF
HKL
Paper
C24 H43 B Si3 UP -18.753; 12.217; 13.657
94.159; 96.016; 103.256
1406.6Windorff, Cory J.; Cross, Justin N.; Scott, Brian L.; Kozimor, Stosh A.; Evans, William J.
Crystallographic characterization of (C~5~H~4~SiMe~3~)~3~U(BH~4~)
Acta Crystallographica Section E, 2021, 77, 383-389
2243783 CIF
HKL
Paper
C13 H13 N3 OP b c a9.6545; 11.2437; 22.9108
90; 90; 90
2487Idrissi, Ahlam; Chkirate, Karim; Abad, Nadeem; Djerrari, Bahia; Achour, Redouane; Essassi, El Mokhtar; Van Meervelt, Luc
Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole
Acta Crystallographica Section E, 2021, 77, 396-401
2243784 CIF
HKL
Paper
C20 H20 Cl N2 Na O8 S2P -15.7347; 10.9336; 18.4692
104.844; 97.478; 95.404
1100Tapmeyer, Lukas; Eisenbeil, Daniel; Bolte, Michael; Schmidt, Martin U.
First crystal structure of a Pigment Red 52 compound: DMSO solvate hydrate of the monosodium salt
Acta Crystallographica Section E, 2021, 77, 402-405

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