Search results

Formula: - C11 H22 Br2 N4 -
Comments: Mulrooney, 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 77(1) (2021) 1-4
Space group: P 1 21/n 1
Cell volume: 1426.47
Cell parameters: 8.7897; 14.8937; 11.1294; 90; 101.742; 90;

COD ID: 2022339

Formula: - C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -
Comments: Gizatullin, 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 77(4) (2021) 324-330
Space group: C 1 2 1
Cell volume: 18712.6
Cell parameters: 29.4665; 22.1299; 28.9371; 90; 97.3964; 90;

COD ID: 2022377
CIF file Original IUCr paper	Formula: - Mg O7 V2 Zn - Comments: Hong, 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 77(6) (2021) 588-591 Space group: C 1 2/m 1 Cell volume: 808.193 Cell parameters: 10.32882; 8.50126; 9.30814; 90; 98.5748; 90;

COD ID: 2022386

Formula: - H2 Hg I3 K O -
Comments: Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises Refinement of K[HgI3]·H2O using non-spherical atomic form factors Acta Crystallographica Section E Crystallographic Communications 77(7) (2021) 681-685
Space group: P n a 21
Cell volume: 906.89
Cell parameters: 8.581; 9.2648; 11.4073; 90; 90; 90;

COD ID: 2022437

Formula: - C68 H113.12 Cl2 N18 O10 Th6 -
Comments: Kelley, 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 77(10) (2021)
Space group: C 1 2/m 1
Cell volume: 4246.6
Cell parameters: 17.6783; 17.2647; 16.383; 90; 121.867; 90;

COD ID: 2022482

Formula: - C17 H7 F8 N3 O -
Comments: Pokhodylo, 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 77(11) (2021)
Space group: P 21 21 21
Cell volume: 1638.2
Cell parameters: 6.7605; 15.065; 16.0849; 90; 90; 90;

COD ID: 2022483

Formula: - C15 H21 N O5 S Se -
Comments: Rajegowda, 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 77(11) (2021)
Space group: P 1 21 1
Cell volume: 897.38
Cell parameters: 10.4266; 6.0539; 14.2168; 90; 90.261; 90;

COD ID: 2243692

Formula: - C18 H19 F N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P 21 21 21
Cell volume: 1687.21
Cell parameters: 7.3286; 11.3388; 20.304; 90; 90; 90;

COD ID: 2243693

Formula: - C18 H19 Cl N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P c a 21
Cell volume: 6873.8
Cell parameters: 29.769; 11.3173; 20.4028; 90; 90; 90;

COD ID: 2243694

Formula: - C18 H19 Br N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P c a 21
Cell volume: 3493.8
Cell parameters: 15.0779; 11.2868; 20.5297; 90; 90; 90;

COD ID: 2243695

Formula: - C18 H19 I N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P 1 21/c 1
Cell volume: 1781.69
Cell parameters: 10.9626; 11.3258; 14.8234; 90; 104.52; 90;

COD ID: 2243696

Formula: - C18 H19 I N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P 21 21 21
Cell volume: 3562.4
Cell parameters: 7.4528; 17.1306; 27.903; 90; 90; 90;

COD ID: 2243697

Formula: - C18 H19 F N2 O2 -
Comments: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having Z' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions Acta Crystallographica Section E 77(1) (2021) 5-13
Space group: P 1 21/n 1
Cell volume: 1574.6
Cell parameters: 7.451; 11.199; 19.138; 90; 99.59; 90;

COD ID: 2243698

Formula: - C16 H14 N2 O -
Comments: Al 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 77(1) (2021) 18-22
Space group: P 1 21/n 1
Cell volume: 1245.1
Cell parameters: 9.2572; 9.0531; 15.0557; 90; 99.329; 90;

COD ID: 2243699

Formula: - C19 H14 Cl2 N2 O -
Comments: Daoui, 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-[(E)-2-phenylethenyl]pyridazin-3(2H)-one Acta Crystallographica Section E 77(1) (2021) 23-27
Space group: P 1 21/n 1
Cell volume: 1694.78
Cell parameters: 10.1306; 10.7019; 15.7749; 90; 97.715; 90;

COD ID: 2243700

Formula: - C10 H11 N5 O7 -
Comments: Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate Acta Crystallographica Section E 77(1) (2021) 34-41
Space group: P -1
Cell volume: 658.78
Cell parameters: 6.6864; 8.1857; 12.649; 79.424; 85.583; 75.586;

COD ID: 2243701

Formula: - C14 H18 N6 O8 -
Comments: Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate Acta Crystallographica Section E 77(1) (2021) 34-41
Space group: P 1 21/c 1
Cell volume: 891.02
Cell parameters: 8.541; 14.0507; 7.5137; 90; 98.827; 90;

COD ID: 2243702

Formula: - C3 H6 N4 O3 -
Comments: Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate Acta Crystallographica Section E 77(1) (2021) 34-41
Space group: P n a 21
Cell volume: 615.9
Cell parameters: 7.27; 9.907; 8.551; 90; 90; 90;

COD ID: 2243703

Formula: - C20 H21 N3 O7 -
Comments: Bouzian, 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 77(1) (2021) 28-33
Space group: P 1 21/c 1
Cell volume: 1911.2
Cell parameters: 6.0686; 19.2791; 16.3795; 90; 94.185; 90;

COD ID: 2243704

Formula: - C53 H38 Cl8 Cu4 N4 O -
Comments: Al 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-κN]copper(II)} dichloromethane monosolvate Acta Crystallographica Section E 77(1) (2021) 42-46
Space group: P -1
Cell volume: 2650.82
Cell parameters: 12.7166; 14.4366; 16.4038; 105.024; 105.935; 102.999;

COD ID: 2243705

Formula: - C13 H12 N2 O2 -
Comments: Tojiboev, 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-5H-pyrido[2,1-b]quinazolin-11-one Acta Crystallographica Section E 77(1) (2021) 47-51
Space group: P n a 21
Cell volume: 2098.2
Cell parameters: 8.284; 8.006; 31.637; 90; 90; 90;

COD ID: 2243706

Formula: - C22 H18 Cl2 N P Pd -
Comments: Mori, 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 77(1) (2021) 52-57
Space group: C 1 2/c 1
Cell volume: 3863.4
Cell parameters: 13.8153; 15.5676; 18.9683; 90; 108.733; 90;

COD ID: 2243707
CIF file HKL data	Formula: - C27 H20 Cl2 N P Pd - Comments: Mori, 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 77(1) (2021) 52-57 Space group: P -1 Cell volume: 1143.4 Cell parameters: 9.6582; 9.8765; 13.0748; 102.011; 90.426; 109.827;

COD ID: 2243708
CIF file Original IUCr paper	Formula: - Al H16 N O15 S - Comments: Svensson, 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 77(1) (2021) 58-61 Space group: P -1 Cell volume: 596.3 Cell parameters: 6.088; 7.377; 13.721; 77.34; 89.561; 82.712;

COD ID: 2243709
CIF file Original IUCr paper	Formula: - Al Cl H14 O11 S - Comments: Svensson, 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 77(1) (2021) 58-61 Space group: P 1 21/c 1 Cell volume: 1021.8 Cell parameters: 6.164; 22.933; 7.2876; 90; 97.328; 90;

COD ID: 2243710

Formula: - C14 H13 N O2 -
Comments: Akduran, Nurcan Crystal structure of 2-hydroxy-2-phenylacetophenone oxime Acta Crystallographica Section E 77(1) (2021) 66-69
Space group: C 1 2/c 1
Cell volume: 2333.8
Cell parameters: 24.3559; 10.7032; 8.9667; 90; 93.22; 90;

COD ID: 2243711

Formula: - H6 K2 Mg3 O16 S3 -
Comments: Weil, 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 77(1) (2021) 62-65
Space group: C m c 21
Cell volume: 1303.7
Cell parameters: 17.8228; 7.4879; 9.7686; 90; 90; 90;

COD ID: 2243712

Formula: - C30 H44 Ca N6 O6 S2 -
Comments: Butcher, 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 77(1) (2021) 70-74
Space group: P -1
Cell volume: 1623.7
Cell parameters: 8.6686; 10.519; 18.998; 75.488; 76.847; 80.905;

COD ID: 2243713

Formula: - C17 H14 O5 -
Comments: Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat Isolation and crystal structure of lawinal Acta Crystallographica Section E 77(1) (2021) 75-78
Space group: I 1 2 1
Cell volume: 2815.4
Cell parameters: 18.9581; 6.6461; 22.4043; 90; 94.163; 90;

COD ID: 2243714

Formula: - C29 H26 N4 O6 -
Comments: Holmberg, 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[1H-isoindole-1,3(2H)-dione] Acta Crystallographica Section E 77(2) (2021) 83-85
Space group: P -1
Cell volume: 1289.6
Cell parameters: 7.8576; 12.3468; 14.1147; 94.295; 104.603; 101.042;

COD ID: 2243715

Formula: - C6 H7 Cl2 N O Sn -
Comments: Henkel, Felix; Reuter, Hans Two coordination compounds of SnCl~2~ with 4-methylpyridine N-oxide Acta Crystallographica Section E 77(2) (2021) 91-95
Space group: P 1 21/c 1
Cell volume: 924.86
Cell parameters: 11.7934; 9.4895; 8.617; 90; 106.455; 90;

COD ID: 2243716
CIF file HKL data	Formula: - C12 H14 Cl2 N2 O2 Sn - Comments: Henkel, Felix; Reuter, Hans Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide Acta Crystallographica Section E 77(2) (2021) 91-95 Space group: P b c n Cell volume: 2998.3 Cell parameters: 19.9848; 10.3723; 14.4644; 90; 90; 90;

COD ID: 2243717

Formula: - C16 H11 N3 -
Comments: Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I. Synthesis and comparative structural study of 2-(pyridin-2-yl)-1H-perimidine and its mono- and di-N-methylated analogues Acta Crystallographica Section E 77(2) (2021) 96-100
Space group: P 1 21/c 1
Cell volume: 1160.29
Cell parameters: 13.5479; 5.0242; 17.3881; 90; 101.382; 90;

COD ID: 2243718

Formula: - C17 H13 N3 -
Comments: Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I. Synthesis and comparative structural study of 2-(pyridin-2-yl)-1H-perimidine and its mono- and di-N-methylated analogues Acta Crystallographica Section E 77(2) (2021) 96-100
Space group: P 1 21/c 1
Cell volume: 1233.25
Cell parameters: 7.5095; 12.1216; 13.5616; 90; 92.547; 90;

COD ID: 2243719

Formula: - C18 H16 I N3 -
Comments: Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I. Synthesis and comparative structural study of 2-(pyridin-2-yl)-1H-perimidine and its mono- and di-N-methylated analogues Acta Crystallographica Section E 77(2) (2021) 96-100
Space group: P 1 21/n 1
Cell volume: 1677.16
Cell parameters: 9.8821; 9.7125; 17.9839; 90; 103.676; 90;

COD ID: 2243720

Formula: - C20 H19 N O5 -
Comments: Zaytsev, 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 (4R,4aS)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylate Acta Crystallographica Section E 77(2) (2021) 86-90
Space group: P -1
Cell volume: 877
Cell parameters: 8.81; 9.9182; 11.165; 81.205; 70.657; 72.642;

COD ID: 2243721

Formula: - C19 H24 N2 O6 -
Comments: Pham, 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 77(2) (2021) 101-106
Space group: P 1 21 1
Cell volume: 977.12
Cell parameters: 7.9555; 13.3696; 9.9708; 90; 112.874; 90;

COD ID: 2243722

Formula: - C20 H24 N2 O6 -
Comments: Pham, 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 77(2) (2021) 101-106
Space group: P 1 21 1
Cell volume: 1016.8
Cell parameters: 7.9702; 14.1788; 9.8035; 90; 113.394; 90;

COD ID: 2243723

Formula: - C44 H52 N4 O12 -
Comments: Pham, 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 77(2) (2021) 101-106
Space group: C 1 2/c 1
Cell volume: 4334.9
Cell parameters: 23.6642; 8.4204; 23.4002; 90; 111.614; 90;

COD ID: 2243724

Formula: - C20 H20 B2 F4 N4 -
Comments: Liu, Xiaoxue; Li, Tuo; Yin, Zhenming Crystal structure and fluorescence study of (μ-N-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-N-{4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)] Acta Crystallographica Section E 77(2) (2021) 126-129
Space group: P n m a
Cell volume: 1859.73
Cell parameters: 20.2495; 6.8046; 13.4969; 90; 90; 90;

COD ID: 2243725

Formula: - C28 H27 N3 O3 S -
Comments: Al-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]-N-phenylacetamide Acta Crystallographica Section E 77(2) (2021) 121-125
Space group: P 1 21/n 1
Cell volume: 2425.46
Cell parameters: 12.0487; 13.9821; 15.0239; 90; 106.606; 90;

COD ID: 2243726

Formula: - C11 H12 N6 O2 -
Comments: Heras Martinez, Hector Mario; Chavez Flores, David; Hillesheim, Patrick C.; Patil, Siddappa; Bugarin, Alejandro Crystal structure and spectroscopic properties of (E)-1,3-dimethyl-2-[3-(4-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1H-imidazole Acta Crystallographica Section E 77(2) (2021) 130-133
Space group: C 1 2/c 1
Cell volume: 2338.7
Cell parameters: 27.7311; 7.1747; 11.7849; 90; 94.101; 90;

COD ID: 2243727

Formula: - C8 H3 Cl F3 N O4 -
Comments: Richter, 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 77(2) (2021) 142-147
Space group: P -1
Cell volume: 467.35
Cell parameters: 4.7297; 7.8993; 13.044; 91.57; 96.51; 104.79;

COD ID: 2243728

Formula: - C8 H4 Cl F3 N2 O3 -
Comments: Richter, 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 77(2) (2021) 142-147
Space group: P 1 21/c 1
Cell volume: 2009.9
Cell parameters: 8.3012; 28.23; 9.1522; 90; 110.424; 90;

COD ID: 2243729

Formula: - C30 H36 N2 Na2 O10 -
Comments: Konovalova, 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 77(2) (2021) 134-137
Space group: P -1
Cell volume: 1502.1
Cell parameters: 8.5404; 9.0144; 21.6217; 92.922; 98.873; 113.038;

COD ID: 2243730

Formula: - C12 H9 N3 O4 S -
Comments: Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdoğan; Arslanhan, Ali; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline Acta Crystallographica Section E 77(2) (2021) 138-141
Space group: P 21 21 21
Cell volume: 1293.54
Cell parameters: 7.1335; 11.7297; 15.4593; 90; 90; 90;

COD ID: 2243731

Formula: - C26 H22 Cd N8 O4 -
Comments: Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan Crystal structure of bis{2-hydroxy-N'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II) Acta Crystallographica Section E 77(2) (2021) 153-157
Space group: A e a 2
Cell volume: 2432.49
Cell parameters: 12.6654; 17.6394; 10.888; 90; 90; 90;

COD ID: 2243732

Formula: - C24 H36 Cl2 F2 N6 Ni O8 -
Comments: Kwak, 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 77(2) (2021) 148-152
Space group: C 1 2/c 1
Cell volume: 2955.1
Cell parameters: 16.991; 15.5187; 13.8864; 90; 126.189; 90;

COD ID: 2243733

Formula: - C18 H25 B O2 Sn -
Comments: Breitwieser, Kevin; Chen, Peter Crystal structure of a 1,1-dibutyl-1H,3H-naphtho[1,8-cd][1,2,6]oxastannaborinin-3-ol Acta Crystallographica Section E 77(2) (2021) 180-183
Space group: C 1 2/c 1
Cell volume: 3644.9
Cell parameters: 30.1386; 11.2948; 16.4726; 90; 139.457; 90;

COD ID: 2243734

Formula: - C30 H43 O2 P -
Comments: Carsch, 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 77(2) (2021) 171-174
Space group: P -1
Cell volume: 2731
Cell parameters: 9.616; 15.8209; 19.0324; 71.2052; 85.1144; 87.9801;

COD ID: 2243735

Formula: - C27 H22 F2 O4 -
Comments: Iitsuka, 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 77(2) (2021) 175-179
Space group: P -1
Cell volume: 1086.06
Cell parameters: 10.14886; 11.1827; 11.6411; 66.724; 77.693; 63.613;

COD ID: 2243736

Formula: - C24 H21 N O4 -
Comments: Nguyen Tien, Cong; Vu Quoc, Trung; Nguyen Dang, Dat; Le Duc, Giang; Van Meervelt, Luc Synthesis and structure of (E)-N-(4-methoxyphenyl)-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide Acta Crystallographica Section E 77(2) (2021) 184-189
Space group: C 1 c 1
Cell volume: 7973.6
Cell parameters: 20.3693; 10.0956; 39.1991; 90; 98.443; 90;

COD ID: 2243737

Formula: - C16 H22 N2 O3 -
Comments: Pham, 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 Bufo alvarius toads Acta Crystallographica Section E 77(2) (2021) 190-194
Space group: P 1 21/n 1
Cell volume: 1609.47
Cell parameters: 7.7368; 12.1233; 17.5528; 90; 102.154; 90;

COD ID: 2243738

Formula: - C15 H23 I N2 O -
Comments: Pham, 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 Bufo alvarius toads Acta Crystallographica Section E 77(2) (2021) 190-194
Space group: P 1 21/n 1
Cell volume: 1702.4
Cell parameters: 7.5067; 22.657; 10.0894; 90; 97.225; 90;

COD ID: 2243739

Formula: - C15 H25 I N2 O2 -
Comments: Pham, 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 Bufo alvarius toads Acta Crystallographica Section E 77(2) (2021) 190-194
Space group: P 1 21/c 1
Cell volume: 1724.4
Cell parameters: 10.9091; 14.091; 11.4029; 90; 100.338; 90;

COD ID: 2243740

Formula: - C28 H21 N3 O -
Comments: Naghiyev, 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 77(2) (2021) 195-199
Space group: P 21 21 21
Cell volume: 2176.93
Cell parameters: 10.7038; 11.6096; 17.5182; 90; 90; 90;

COD ID: 2243741

Formula: - C25 H27 Cl N4 O -
Comments: Ullah, 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(1H)-one Acta Crystallographica Section E 77(2) (2021) 208-212
Space group: P -1
Cell volume: 1100.9
Cell parameters: 8.4791; 10.4091; 13.6862; 90.138; 94.833; 113.745;

COD ID: 2243742

Formula: - C22 H56 Cl4 N4 O4 -
Comments: Moon, 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 77(2) (2021) 213-216
Space group: P 1 21/n 1
Cell volume: 1462.3
Cell parameters: 7.655; 23.533; 8.313; 90; 102.45; 90;

COD ID: 2243743

Formula: - C20 H19 N3 O4 -
Comments: Arderne, Charmaine; Fotsing, Marthe Carine Djuide; Ndinteh, Derek Tantoh Synthesis and structure of 4-{[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one Acta Crystallographica Section E 77(2) (2021) 200-203
Space group: C 1 2/c 1
Cell volume: 4142.8
Cell parameters: 33.888; 14.9497; 8.2021; 90; 94.447; 90;

COD ID: 2243744

Formula: - C4 H8 O4 S2 -
Comments: Harlow, 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 77(2) (2021) 204-207
Space group: P 1 n 1
Cell volume: 347.71
Cell parameters: 4.9472; 9.9021; 7.1002; 90; 91.464; 90;

COD ID: 2243745

Formula: - C20 H27 N -
Comments: Acelas, 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 trans-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine Acta Crystallographica Section E 77(3) (2021) 226-232
Space group: P 21 21 21
Cell volume: 1671.74
Cell parameters: 10.05103; 10.62943; 15.64759; 90; 90; 90;

COD ID: 2243746

Formula: - C54 H80 N8 O6 -
Comments: Amrhein, Felix; Schwarzer, Anke; Mazik, Monika Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms Acta Crystallographica Section E 77(3) (2021) 233-236
Space group: P 1 21/c 1
Cell volume: 2606.3
Cell parameters: 13.8395; 20.0443; 9.6347; 90; 102.8; 90;

COD ID: 2243747

Formula: - C15 H15 Br2 N O2 -
Comments: Mertsalov, 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-1H-isoindol-1-one Acta Crystallographica Section E 77(3) (2021) 237-241
Space group: P -1
Cell volume: 740.89
Cell parameters: 6.8064; 9.5045; 11.9482; 79.551; 87.82; 77.083;

COD ID: 2243748

Formula: - C20 H19 N3 O2 -
Comments: Mohamed, 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)-N'-[(E)-(furan-2-yl)methylidene]benzohydrazide and N'-[(E)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide Acta Crystallographica Section E 77(3) (2021) 242-246
Space group: P 1 21/c 1
Cell volume: 1701.2
Cell parameters: 13.8467; 15.8409; 8.0225; 90; 104.814; 90;

COD ID: 2243749

Formula: - C22 H21 N3 O -
Comments: Mohamed, 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)-N'-[(E)-(furan-2-yl)methylidene]benzohydrazide and N'-[(E)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide Acta Crystallographica Section E 77(3) (2021) 242-246
Space group: P 1 21/c 1
Cell volume: 1816.55
Cell parameters: 14.3493; 15.7501; 8.3737; 90; 106.285; 90;

COD ID: 2243750

Formula: - C27 H33 N O5 -
Comments: Allah, 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 77(3) (2021) 247-250
Space group: P 1 21/n 1
Cell volume: 2439.93
Cell parameters: 9.5289; 18.6653; 13.8046; 90; 96.41; 90;

COD ID: 2243751

Formula: - C15 H15 Br2 N O2 -
Comments: Mertsalov, 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-1H-isoindol-1-one Acta Crystallographica Section E 77(3) (2021) 255-259
Space group: P 1 21/n 1
Cell volume: 2998.83
Cell parameters: 17.4839; 8.2993; 21.512; 90; 106.115; 90;

COD ID: 2243752

Formula: - C24 H24 N2 O5 S -
Comments: Mertsalov, 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 (RS)-3-hydroxy-2-{[(3aRS,6RS,7aRS)-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1H-isoindol-6-yl]methyl}isoindolin-1-one Acta Crystallographica Section E 77(3) (2021) 260-265
Space group: P -1
Cell volume: 2213.3
Cell parameters: 11.821; 11.8395; 16.7336; 77.949; 79.555; 77.511;

COD ID: 2243753

Formula: - C14 H12 Cu N2 O6 -
Comments: Gao, 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 77(3) (2021) 282-285
Space group: P -1
Cell volume: 660.34
Cell parameters: 7.6516; 9.9272; 10.0722; 95.204; 107.729; 111.462;

COD ID: 2243754

Formula: - C8 H14 O2 -
Comments: Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger Threefold helical assembly via hydroxy hydrogen bonds: the 2:1 co-crystal of bicyclo[3.3.0]octane-endo-3,endo-7-diol and bicyclo[3.3.0]octane-endo-3,exo-7-diol Acta Crystallographica Section E 77(3) (2021) 270-276
Space group: P 1 21/n 1
Cell volume: 1155.9
Cell parameters: 6.2758; 23.6912; 7.776; 90; 91.21; 90;

COD ID: 2243755

Formula: - C26 H20 N2 O3 -
Comments: Mohamed, 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-[(1E)-(4-{4-[(E)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol Acta Crystallographica Section E 77(3) (2021) 266-269
Space group: C 1 2/c 1
Cell volume: 2015.27
Cell parameters: 26.8396; 5.1174; 17.2574; 90; 121.764; 90;

COD ID: 2243756

Formula: - C21 H16 F N3 O3 S -
Comments: Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P. Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide Acta Crystallographica Section E 77(3) (2021) 277-281
Space group: P 1 21/c 1
Cell volume: 1941.6
Cell parameters: 18.3849; 7.7063; 13.9216; 90; 100.136; 90;

COD ID: 2243757

Formula: - C22 H18 F N3 O4 S -
Comments: Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P. Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide Acta Crystallographica Section E 77(3) (2021) 277-281
Space group: C 1 2/c 1
Cell volume: 4134
Cell parameters: 47.298; 4.8054; 18.4939; 90; 100.429; 90;

COD ID: 2243758

Formula: - C23 H31 N3 O2 S Sn -
Comments: Yusof, Enis Nadia Md; Kwong, Huey Chong; Karunakaran, Thiruventhan; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T. Di-n-butyl[N'-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E 77(3) (2021) 286-293
Space group: P 1 21/n 1
Cell volume: 2430.41
Cell parameters: 11.272; 16.1954; 14.2778; 90; 111.18; 90;

COD ID: 2243759

Formula: - C22 H22 Cl N3 O4 S -
Comments: Shyshkina, 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-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis Acta Crystallographica Section E 77(3) (2021) 294-297
Space group: P -1
Cell volume: 1103.51
Cell parameters: 8.6739; 10.549; 12.4021; 91.351; 101.065; 97.235;

COD ID: 2243760

Formula: - C14 H21.61 K4 N8 Ni2 O18.81 -
Comments: Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U. Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-N,N'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] Acta Crystallographica Section E 77(3) (2021) 298-304
Space group: P b c a
Cell volume: 5673.74
Cell parameters: 15.0694; 16.9659; 22.192; 90; 90; 90;

COD ID: 2243761

Formula: - C17 H20 Cl N O5 -
Comments: Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-N-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-N-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide Acta Crystallographica Section E 77(3) (2021) 314-318
Space group: P 1 21/c 1
Cell volume: 1663.2
Cell parameters: 14.654; 8.9148; 13.045; 90; 102.581; 90;

COD ID: 2243762

Formula: - C19 H24 Cl N O5 -
Comments: Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-N-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-N-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide Acta Crystallographica Section E 77(3) (2021) 314-318
Space group: P 1 21/c 1
Cell volume: 3926.9
Cell parameters: 14.6986; 10.6309; 25.131; 90; 90.1851; 90;

COD ID: 2243763

Formula: - C24 H22 Cu3 N4 O16 -
Comments: Mirzaei, 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 N-oxide)tricopper(II)] Acta Crystallographica Section E 77(3) (2021) 309-313
Space group: P -1
Cell volume: 678.2
Cell parameters: 7.8669; 9.71; 10.424; 97.016; 110.701; 109.049;

COD ID: 2243764

Formula: - C23 H19 Br N4 O2 -
Comments: Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N. Crystal structure of 2-[(E)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole: the first example of a structurally characterized triarylazoimidazole Acta Crystallographica Section E 77(3) (2021) 305-308
Space group: P 1 21/c 1
Cell volume: 2007.2
Cell parameters: 10.7812; 12.7877; 15.4575; 90; 109.635; 90;

COD ID: 2243765

Formula: - C17 H19 N O4 -
Comments: Nowatschin, Vanessa; Näther, Christian; Lüning, Ulrich Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate Acta Crystallographica Section E 77(4) (2021) 331-334
Space group: P 1 21/c 1
Cell volume: 1526.4
Cell parameters: 13.72487; 13.05333; 8.5597; 90; 95.522; 90;

COD ID: 2243766

Formula: - C23 H21 Cl N2 O3 -
Comments: Allah, 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 77(4) (2021) 351-355
Space group: P b c a
Cell volume: 8248.51
Cell parameters: 27.9446; 8.4311; 35.0101; 90; 90; 90;

COD ID: 2243767

Formula: - C24 H22 N2 O3 -
Comments: Allah, 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 77(4) (2021) 351-355
Space group: P 1 21/c 1
Cell volume: 3979.69
Cell parameters: 10.3486; 13.9969; 27.5353; 90; 93.797; 90;

COD ID: 2243768

Formula: - C25 H23 N5 O S2 -
Comments: Harish 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 77(4) (2021) 335-340
Space group: P -1
Cell volume: 1188.05
Cell parameters: 8.6269; 9.8418; 14.9; 90.588; 106.162; 101.441;

COD ID: 2243769

Formula: - C48 H40 Cl4 N10 O3 S4 -
Comments: Harish 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 77(4) (2021) 335-340
Space group: P 1 2/c 1
Cell volume: 2452.5
Cell parameters: 15.037; 8.4266; 19.471; 90; 96.246; 90;

COD ID: 2243770

Formula: - C31 H27 N5 O4 S2 -
Comments: Harish 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 77(4) (2021) 335-340
Space group: P -1
Cell volume: 1490.9
Cell parameters: 10.783; 11.683; 13.577; 93.54; 105.17; 113.2;

COD ID: 2243771

Formula: - C32 H22 Br Cl2 N5 O S2 -
Comments: Harish 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 77(4) (2021) 335-340
Space group: P -1
Cell volume: 1548.4
Cell parameters: 12.32; 12.57; 12.7742; 117.202; 102.879; 105.727;

COD ID: 2243772

Formula: - C24 H20 Cl N O2 -
Comments: Aydin, 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 77(4) (2021) 346-350
Space group: P 1 21/c 1
Cell volume: 2063.3
Cell parameters: 10.5733; 22.848; 8.7151; 90; 101.477; 90;

COD ID: 2243773

Formula: - C20 H27 F N2 O2 -
Comments: Gumireddy, Ashwini; DeBoyace, Kevin; Rupprecht, Alexander; Gupta, Mohit; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D. Crystal structure of tert-butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate Acta Crystallographica Section E 77(4) (2021) 360-365
Space group: P 1 21 1
Cell volume: 994.07
Cell parameters: 10.2576; 9.5127; 10.5318; 90; 104.691; 90;

COD ID: 2243774

Formula: - C12 H10 Br N O3 S -
Comments: Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O. Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one Acta Crystallographica Section E 77(4) (2021) 341-345
Space group: P 21 21 21
Cell volume: 1250.1
Cell parameters: 4.8436; 13.9149; 18.5479; 90; 90; 90;

COD ID: 2243775

Formula: - C13 H11 Br N2 O4 S -
Comments: Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O. Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one Acta Crystallographica Section E 77(4) (2021) 341-345
Space group: P -1
Cell volume: 722.06
Cell parameters: 6.8904; 8.3224; 12.8763; 83.423; 80.393; 85.693;

COD ID: 2243776

Formula: - C19 H23 Br N2 O5 S -
Comments: Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O. Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one Acta Crystallographica Section E 77(4) (2021) 341-345
Space group: P 1 21/c 1
Cell volume: 2068.68
Cell parameters: 7.7375; 15.9728; 16.7621; 90; 93.055; 90;

COD ID: 2243777

Formula: - C33 H26 N4 O4 -
Comments: Mohamed, 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 (3S,3aR,6aS)-3-(1,3-diphenyl-1H-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Acta Crystallographica Section E 77(4) (2021) 356-359
Space group: P -1
Cell volume: 1332.1
Cell parameters: 11.5014; 11.534; 11.7878; 73.567; 74.613; 64.218;

COD ID: 2243778

Formula: - C100 H88.32 N8 O12.16 S4 -
Comments: Naghiyev, 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-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate Acta Crystallographica Section E 77(4) (2021) 366-371
Space group: P 1 21/c 1
Cell volume: 2195.1
Cell parameters: 12.049; 20.223; 9.1743; 90; 100.91; 90;

COD ID: 2243779

Formula: - C27 H30 N2 O -
Comments: Ullah, 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 77(4) (2021) 372-377
Space group: P -1
Cell volume: 1096.41
Cell parameters: 7.7099; 11.2838; 12.9539; 89.413; 79.094; 82.27;

COD ID: 2243780

Formula: - C26 H29 N3 O -
Comments: Ullah, 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 77(4) (2021) 372-377
Space group: P -1
Cell volume: 1082.7
Cell parameters: 7.9142; 10.9051; 12.8896; 87.271; 79.29; 82.206;

COD ID: 2243781

Formula: - C9 H7 N O2 S -
Comments: Laroum, Rima; Benouatas, Assia; Hamdouni, Noudjoud; Zemamouche, Wissame; Boudjada, Ali; Debache, Abdelmadjid Crystal structure and Hirshfeld surface analysis of (Z)-3-methyl-4-(thiophen-2-ylmethylidene)isoxazol-5(4H)-one Acta Crystallographica Section E 77(4) (2021) 378-382
Space group: P 1 21/c 1
Cell volume: 1761.71
Cell parameters: 10.466; 12.1614; 14.7636; 90; 110.362; 90;

COD ID: 2243782

Formula: - C24 H43 B Si3 U -
Comments: Windorff, 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 77(4) (2021) 383-389
Space group: P -1
Cell volume: 1406.6
Cell parameters: 8.753; 12.217; 13.657; 94.159; 96.016; 103.256;

COD ID: 2243783

Formula: - C13 H13 N3 O -
Comments: Idrissi, 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]-1H-benzimidazole Acta Crystallographica Section E 77(4) (2021) 396-401
Space group: P b c a
Cell volume: 2487
Cell parameters: 9.6545; 11.2437; 22.9108; 90; 90; 90;

COD ID: 2243784

Formula: - C20 H20 Cl N2 Na O8 S2 -
Comments: Tapmeyer, 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 77(4) (2021) 402-405
Space group: P -1
Cell volume: 1100
Cell parameters: 5.7347; 10.9336; 18.4692; 104.844; 97.478; 95.404;

COD ID: 2243785

Formula: - C20 H24 Cu N4 O8 -
Comments: Kansiz, Sevgi; Qadir, Adnan M.; Dege, Necmi; Yongxin, Li; Saif, Eiad Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitrobenzoate and tetramethylethylenediamine ligands Acta Crystallographica Section E 77(4) (2021) 412-415
Space group: C 1 2/c 1
Cell volume: 2160.04
Cell parameters: 12.7286; 7.4918; 22.8967; 90; 98.395; 90;

COD ID: 2243786

Formula: - C19 H24 N2 O3 -
Comments: Pham, Duyen N. K.; Sammeta, Vamshikrishna Reddy; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. `Foxtrot' fumarate: a water-soluble salt of N,N-diallyl-5-methoxytryptamine (5-MeO-DALT) Acta Crystallographica Section E 77(4) (2021) 416-419
Space group: P -1
Cell volume: 894.87
Cell parameters: 7.8791; 9.2908; 13.5352; 108.081; 104.365; 95.903;

COD ID: 2243787

Formula: - C26 H24 Br N3 S -
Comments: Mohamed, Shaaban K.; Elgarhy, Sahar M. I.; Hassan, Alaa A.; Demirtaş, Güneş; Mague, Joel. T.; Ramli, Youssef Crystal structure of (E)-1-(3-benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(E)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide Acta Crystallographica Section E 77(4) (2021) 420-423
Space group: C 1 c 1
Cell volume: 2235.92
Cell parameters: 14.5474; 17.8777; 9.0803; 90; 108.773; 90;

COD ID: 2243788
CIF file Original IUCr paper	Formula: - C6 H16 Cl4 Co N2 - Comments: Landolsi, Meriem; Abid, Sonia Crystal structure and Hirshfeld surface analysis of <i>trans</i>-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II) Acta Crystallographica Section E 77(4) (2021) 424-427 Space group: C 1 2/c 1 Cell volume: 1271.66 Cell parameters: 7.6431; 11.9347; 14.0058; 90; 95.519; 90;

COD ID: 2243789

Formula: - C36 H35.96 Br N2 O6.48 -
Comments: Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L. Maleate salts of bedaquiline Acta Crystallographica Section E 77(4) (2021) 433-445
Space group: C 1 2 1
Cell volume: 3578.7
Cell parameters: 15.7469; 13.2627; 17.8602; 90; 106.376; 90;

COD ID: 2243790

Formula: - C84 H94 Br2 N4 O15 -
Comments: Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L. Maleate salts of bedaquiline Acta Crystallographica Section E 77(4) (2021) 433-445
Space group: C 1 2 1
Cell volume: 3793
Cell parameters: 16.4119; 13.5643; 17.8475; 90; 107.318; 90;

COD ID: 2243791

Formula: - C39.28 H41.57 Br N2 O7.64 -
Comments: Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L. Maleate salts of bedaquiline Acta Crystallographica Section E 77(4) (2021) 433-445
Space group: P 1 21 1
Cell volume: 3726.3
Cell parameters: 16.1525; 13.5353; 17.8572; 90; 107.359; 90;

COD ID: 2243792

Formula: - C81 H89 Br2 N4 O14 -
Comments: Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L. Maleate salts of bedaquiline Acta Crystallographica Section E 77(4) (2021) 433-445
Space group: C 1 2 1
Cell volume: 3733.9
Cell parameters: 16.0678; 13.644; 17.872; 90; 107.635; 90;

COD ID: 2243793

Formula: - C36 H35 Br N2 O6 -
Comments: Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L. Maleate salts of bedaquiline Acta Crystallographica Section E 77(4) (2021) 433-445
Space group: C 1 2 1
Cell volume: 3603
Cell parameters: 15.7494; 13.3568; 17.8634; 90; 106.5; 90;

COD ID: 2243794

COD ID: 2243795

Formula: - C14 H16 Co N6 S2 -
Comments: Krebs, Christoph; Jess, Inke; Näther, Christian Synthesis, crystal structure and thermal properties of poly[bis[μ~2~-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)] Acta Crystallographica Section E 77(4) (2021) 428-432
Space group: P 1 21/n 1
Cell volume: 860.97
Cell parameters: 8.2442; 11.9186; 8.9204; 90; 100.807; 90;

COD ID: 2243796

Formula: - C12 H16 Cl2 Cu N8 -
Comments: Li, Ting Bin; Hu, Ya Li; Li, Ji Kun; He, Guo Fang Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum Acta Crystallographica Section E 77(4) (2021) 450-451
Space group: P 1 21/n 1
Cell volume: 1643.79
Cell parameters: 8.8662; 13.3199; 13.919; 90; 90.042; 90;

COD ID: 2243797

Formula: - C16 H15 N5 -
Comments: Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile Acta Crystallographica Section E 77(5) (2021) 512-515
Space group: P 1 21/c 1
Cell volume: 1373.89
Cell parameters: 8.2521; 10.2774; 16.2102; 90; 92.07; 90;

COD ID: 2243798

Formula: - C16 H13 Cl2 N5 -
Comments: Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile Acta Crystallographica Section E 77(5) (2021) 516-521
Space group: C 1 c 1
Cell volume: 1618.08
Cell parameters: 8.6598; 16.0275; 11.659; 90; 90.7364; 90;

COD ID: 2243799

Formula: - C15 H12 Br2 F3 N O2 -
Comments: Mertsalov, Dmitriy F.; Alekseeva, Kseniia A.; Daria, Magrycheva S.; Cheshigin, Maxim E.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Grigoriev, Mikhail S.; Mlowe, Sixberth (3aS,4R,5R,6S,7aR)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E 77(5) (2021) 466-472
Space group: P 1 21/c 1
Cell volume: 3145.24
Cell parameters: 6.6543; 18.9031; 25.1995; 90; 97.132; 90;

COD ID: 2243800

Formula: - C20 H28 N2 O8 S4 -
Comments: Pacifico, Jessica; Stoeckli-Evans, Helen A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks Acta Crystallographica Section E 77(5) (2021) 480-490
Space group: P -1
Cell volume: 604.8
Cell parameters: 5.5843; 9.0061; 12.739; 101.537; 94.313; 103.701;

COD ID: 2243801

Formula: - C20 H28 N2 O8 S4 -
Comments: Pacifico, Jessica; Stoeckli-Evans, Helen A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks Acta Crystallographica Section E 77(5) (2021) 480-490
Space group: P -1
Cell volume: 608.1
Cell parameters: 4.9424; 8.993; 14.19; 96.96; 97.14; 100.72;

COD ID: 2243802

Formula: - C20 H27 K N2 O8 S4 -
Comments: Pacifico, Jessica; Stoeckli-Evans, Helen A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks Acta Crystallographica Section E 77(5) (2021) 480-490
Space group: C 1 2/c 1
Cell volume: 2435.7
Cell parameters: 30.08; 8.4716; 9.5908; 90; 94.717; 90;

COD ID: 2243803

Formula: - C20 H26 K2 N2 O8 S4 -
Comments: Pacifico, Jessica; Stoeckli-Evans, Helen A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks Acta Crystallographica Section E 77(5) (2021) 480-490
Space group: C 1 2/c 1
Cell volume: 2606.7
Cell parameters: 27.908; 8.2916; 11.3035; 90; 94.753; 90;

COD ID: 2243804

Formula: - C14 H9 Br N2 O S -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher Different patterns of supramolecular aggregation in three amides containing N-(benzo[d]thiazolyl) substituents Acta Crystallographica Section E 77(5) (2021) 504-511
Space group: P 1 21/c 1
Cell volume: 1312.31
Cell parameters: 24.221; 4.9481; 10.9981; 90; 95.371; 90;

COD ID: 2243805

Formula: - C15 H11 N3 O4 S -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher Different patterns of supramolecular aggregation in three amides containing N-(benzo[d]thiazolyl) substituents Acta Crystallographica Section E 77(5) (2021) 504-511
Space group: P n a 21
Cell volume: 2965.5
Cell parameters: 20.085; 20.165; 7.322; 90; 90; 90;

COD ID: 2243806

Formula: - C15 H13 N3 O3 S -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher Different patterns of supramolecular aggregation in three amides containing N-(benzo[d]thiazolyl) substituents Acta Crystallographica Section E 77(5) (2021) 504-511
Space group: C 1 2/c 1
Cell volume: 2879.8
Cell parameters: 18.72; 11.5255; 14.7905; 90; 115.52; 90;

COD ID: 2243807

Formula: - C17 H26 N2 O -
Comments: Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. 5-Methoxy-N,N-di-n-propyltryptamine (5-MeO-DPT): freebase and fumarate Acta Crystallographica Section E 77(5) (2021) 522-526
Space group: P 1 21/n 1
Cell volume: 1610.57
Cell parameters: 6.2223; 13.0931; 19.7791; 90; 91.825; 90;

COD ID: 2243808
CIF file HKL data	Formula: - C19 H28 N2 O3 - Comments: Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. 5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (5-MeO-DPT): freebase and fumarate Acta Crystallographica Section E 77(5) (2021) 522-526 Space group: P -1 Cell volume: 943.06 Cell parameters: 9.2956; 9.4443; 12.7427; 78.552; 75.929; 60.806;

COD ID: 2243809

Formula: - C28 H25 Cl2 N3 O3 S -
Comments: Akkurt, Mehmet; Marae, Islam S.; Mague, Joel T.; Mohamed, Shaaban K.; Bakhite, Etify A.; Al-Waleedy, Safiyyah A. H. Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide Acta Crystallographica Section E 77(5) (2021) 527-531
Space group: P 1 21/c 1
Cell volume: 2644.1
Cell parameters: 18.2076; 14.2859; 10.2713; 90; 98.245; 90;

COD ID: 2243810

Formula: - C15 H15 Br2 N O3 -
Comments: Mertsalov, Dmitriy F.; Surina, Nataliya S.; Sorokina, Elena A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Grigoriev, Mikhail S.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one Acta Crystallographica Section E 77(5) (2021) 532-536
Space group: P 1 21/c 1
Cell volume: 1495.1
Cell parameters: 12.0238; 6.4316; 19.463; 90; 96.618; 90;

COD ID: 2243811

Formula: - C82 H105 Au3 F6 N O11 P3 S2 -
Comments: Hartgerink, Colin T.; Staples, Richard J.; Anderson, Carolyn E. Crystal structure of tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κP)-μ-oxoethenylidene-triangulo-trigold(I) bis(trifluoromethanesulfonyl)imide Acta Crystallographica Section E 77(5) (2021) 537-541
Space group: P 1 21/n 1
Cell volume: 8275.76
Cell parameters: 24.0018; 12.4867; 28.4299; 90; 103.767; 90;

COD ID: 2243812

Formula: - C20 H42 Cl2 N4 O8 -
Comments: Moon, Dohyun; Jeon, Sunghwan; Choi, Jong-Ha Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate) from synchrotron X-ray data Acta Crystallographica Section E 77(5) (2021) 551-554
Space group: P 1 21/n 1
Cell volume: 1263.9
Cell parameters: 10.689; 8.445; 14.02; 90; 92.9; 90;

COD ID: 2243813

Formula: - C14 H13 N5 O S -
Comments: Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G. Crystal structures of (E)-2-amino-4-methylsulfanyl-6-oxo-1-(1-phenylethylideneamino)-1,6-dihydropyrimidine-5-carbonitrile and (E)-2-amino-4-methylsulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethylideneamino]-1,6-dihydropyrimidine-5-carbonitrile Acta Crystallographica Section E 77(5) (2021) 547-550
Space group: P 1 21/c 1
Cell volume: 1395.72
Cell parameters: 12.15369; 14.9466; 7.68691; 90; 91.7607; 90;

COD ID: 2243814

Formula: - C13 H12 N6 O S -
Comments: Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G. Crystal structures of (E)-2-amino-4-methylsulfanyl-6-oxo-1-(1-phenylethylideneamino)-1,6-dihydropyrimidine-5-carbonitrile and (E)-2-amino-4-methylsulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethylideneamino]-1,6-dihydropyrimidine-5-carbonitrile Acta Crystallographica Section E 77(5) (2021) 547-550
Space group: P 1 21/n 1
Cell volume: 1366.05
Cell parameters: 13.4774; 7.6797; 14.2755; 90; 112.401; 90;

COD ID: 2243815
CIF file HKL data	Formula: - C23 H31 N3 O5 Zn - Comments: Noor, Shabana; Suda, Shintaro; Haraguchi, Tomoyuki; Khatoon, Fehmeeda; Akitsu, Takashiro Chiral crystallization of a zinc(II) complex Acta Crystallographica Section E 77(5) (2021) 542-546 Space group: P n a 21 Cell volume: 2267.6 Cell parameters: 14.5937; 11.4425; 13.5794; 90; 90; 90;

COD ID: 2243816

Formula: - C17 H13 N O3 -
Comments: Benouatas, Assia; Laroum, Rima; Hamdouni, Noudjoud; Zemamouche, Wissame; Debache, Abdelmadjid; Boudjada, Ali Structural study and Hirshfeld surface analysis of (Z)-4-(2-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one Acta Crystallographica Section E 77(5) (2021) 564-568
Space group: C 1 2/c 1
Cell volume: 2769.96
Cell parameters: 20.3883; 7.5925; 17.9858; 90; 95.791; 90;

COD ID: 2243817

Formula: - C17 H26 N2 O -
Comments: Ait Elmachkouri, Younesse; Saber, Asmaa; Irrou, Ezaddine; Amer, Bushra; Mague, Joel T.; Hökelek, Tuncer; Labd Taha, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1H-benzimidazol-2-one Acta Crystallographica Section E 77(5) (2021) 559-563
Space group: P 1 21/c 1
Cell volume: 1599.31
Cell parameters: 17.3256; 5.5662; 16.7244; 90; 97.433; 90;

COD ID: 2243818

Formula: - As H O7 Te Zn2 -
Comments: Eder, Felix; Weil, Matthias Crystal structure of Zn~2~(HTeO~3~)(AsO~4~) Acta Crystallographica Section E 77(5) (2021) 555-558
Space group: C 1 m 1
Cell volume: 299.43
Cell parameters: 6.904; 7.7212; 5.726; 90; 101.196; 90;

COD ID: 2243819

Formula: - C9 H18 Mo O6 S3 -
Comments: Elvers, Benedict J.; Fischer, Christian; Schulzke, Carola Molecular structure of fac-[Mo(CO)~3~(DMSO)~3~] Acta Crystallographica Section E 77(5) (2021) 583-587
Space group: P -1
Cell volume: 803.9
Cell parameters: 8.2027; 8.4059; 13.465; 78.58; 75.69; 63.94;

COD ID: 2243820

Formula: - C22 H56 Cl2 Cu N4 O6 -
Comments: Moon, Dohyun; Choi, Jong-Ha Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) dichloride tetrahydrate Acta Crystallographica Section E 77(5) (2021) 569-572
Space group: P -1
Cell volume: 744.8
Cell parameters: 8.022; 10.02; 10.354; 81.36; 72.84; 69.71;

COD ID: 2243821

Formula: - C30 H28 N5 O13 Sm -
Comments: Okumura, Yuta; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro Crystal structure and Hirshfeld surface analysis of ((S,S)-2,2'-{[(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III) Acta Crystallographica Section E 77(5) (2021) 579-582
Space group: C 1 2 1
Cell volume: 6371
Cell parameters: 18.9105; 15.7993; 21.5738; 90; 98.727; 90;

COD ID: 2243822

Formula: - C6 H16 B K -
Comments: Fecker, Ann Christin; Freytag, Matthias; Walter, Marc D.; Jones, Peter G. Crystal structure of potassium triethylhydridoborate (`superhydride') Acta Crystallographica Section E 77(6) (2021) 592-595
Space group: P 21 21 21
Cell volume: 848.48
Cell parameters: 7.4758; 7.6682; 14.801; 90; 90; 90;

COD ID: 2243823
CIF file Original IUCr paper	Formula: - C19 H13 N - Comments: Zhao, Meng; Zhang, Gang; Zhang, Jingmiao; Huang, Shan; Liu, Xiuxia; Li, Fei Crystal structure of 4-(anthracen-9-yl)pyridine Acta Crystallographica Section E 77(6) (2021) 605-608 Space group: C 1 2/c 1 Cell volume: 1273.45 Cell parameters: 6.0777; 20.9211; 10.2574; 90; 102.476; 90;

COD ID: 2243824

Formula: - C30 H23 K O8 S2 -
Comments: Vu Quoc, Trung; Phan Thuy, Linh; Do Ba, Dai; Tran Thi Thuy, Duong; Nguyen Ngoc, Linh; Nguyen Thuy, Chinh; Duong Khanh, Linh; Ha Manh, Hung; Thai, Hoang; Le Van, Khoe; Van Meervelt, Luc Crystal structure of potassium hydrogen bis((E)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate) Acta Crystallographica Section E 77(6) (2021) 609-614
Space group: P -1
Cell volume: 1396.42
Cell parameters: 6.0036; 9.6432; 25.0966; 92.412; 90.548; 105.808;

COD ID: 2243825

Formula: - C13 H11 N O2 -
Comments: Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; Aly, Moustafa F.; Akkurt, Mehmet; Elgarhy, Sahar M. I. Crystal structure and Hirshfeld surface analysis of N-[(Z)-(2-hydroxyphenyl)methylidene]aniline N-oxide Acta Crystallographica Section E 77(6) (2021) 596-599
Space group: P 1 c 1
Cell volume: 509.21
Cell parameters: 5.5391; 5.7873; 16.0859; 90; 99.067; 90;

COD ID: 2243826

Formula: - C23 H21 N5 O -
Comments: Naghiyev, Farid N.; Mammadova, Gunay Z.; Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate Acta Crystallographica Section E 77(6) (2021) 600-604
Space group: P 1 21/n 1
Cell volume: 2088.2
Cell parameters: 8.5517; 18.781; 13.1925; 90; 99.757; 90;

COD ID: 2243827

Formula: - C13 H16 N4 O -
Comments: Al Ati, Gamal; Chkirate, Karim; Mague, Joel T.; Abad, Nadeem; Achour, Redouane; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-amino-5-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide Acta Crystallographica Section E 77(6) (2021) 638-642
Space group: P 1 21/c 1
Cell volume: 1221.06
Cell parameters: 7.1271; 8.9295; 19.2508; 90; 94.683; 90;

COD ID: 2243828

Formula: - C14 H17 N3 O5 S -
Comments: Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1H-pyrazol-1-yl)acetate Acta Crystallographica Section E 77(6) (2021) 615-617
Space group: P 1 21/c 1
Cell volume: 1656.85
Cell parameters: 9.1398; 11.1525; 16.3795; 90; 97.081; 90;

COD ID: 2243829
CIF file HKL data	Formula: - Ba5 I2 O12 - Comments: Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K Acta Crystallographica Section E 77(6) (2021) 634-637 Space group: P n m a Cell volume: 1226.76 Cell parameters: 19.7361; 5.8779; 10.5749; 90; 90; 90;

COD ID: 2243830

Formula: - Ba5 I2 O12 -
Comments: Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K Acta Crystallographica Section E 77(6) (2021) 634-637
Space group: P n m a
Cell volume: 1234.13
Cell parameters: 19.7568; 5.9003; 10.5869; 90; 90; 90;

COD ID: 2243831

Formula: - C6 H5 K2 N O8 S -
Comments: Behrman, Edward J.; Parkin, Sean Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate Acta Crystallographica Section E 77(6) (2021) 623-628
Space group: P 1 21/c 1
Cell volume: 1094.02
Cell parameters: 13.3366; 11.5467; 7.3078; 90; 103.553; 90;

COD ID: 2243832

Formula: - C6 H5 N O4 -
Comments: Behrman, Edward J.; Parkin, Sean Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate Acta Crystallographica Section E 77(6) (2021) 623-628
Space group: A e m 2
Cell volume: 608.42
Cell parameters: 10.2045; 6.1282; 9.7293; 90; 90; 90;

COD ID: 2243833

Formula: - C26 H28 N2 O -
Comments: Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I. Synthesis and crystal structures of N-H, N-phenyl and N-benzyl-2-(4-hexyloxyphenyl)benzimidazoles Acta Crystallographica Section E 77(6) (2021) 618-622
Space group: P 1 21/n 1
Cell volume: 2125.8
Cell parameters: 14.3057; 9.6392; 16.3024; 90; 108.977; 90;

COD ID: 2243834
CIF file HKL data	Formula: - C25 H26 N2 O - Comments: Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I. Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles Acta Crystallographica Section E 77(6) (2021) 618-622 Space group: P 1 21/n 1 Cell volume: 2035.36 Cell parameters: 9.0089; 16.6539; 13.84; 90; 101.419; 90;

COD ID: 2243835
CIF file HKL data	Formula: - C19 H22 N2 O - Comments: Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I. Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles Acta Crystallographica Section E 77(6) (2021) 618-622 Space group: P b c a Cell volume: 3285.8 Cell parameters: 9.3802; 9.4076; 37.235; 90; 90; 90;

COD ID: 2243836

Formula: - C24 H30 Cl4 N4 Zn -
Comments: Tojiboev, Akmaljon; Okmanov, Rasul; Englert, Ulli; Wang, Ruimin; Pan, Fangfang; Turgunov, Kambarali; Tashkhodjaev, Bakhodir Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate Acta Crystallographica Section E 77(6) (2021) 629-633
Space group: P 1 21/n 1
Cell volume: 2504.8
Cell parameters: 9.291; 15.682; 17.275; 90; 95.642; 90;

COD ID: 2243837

Formula: - C9 H22 Al2 Br4 O2 -
Comments: Butcher, Ray J.; Purdy, Andrew P. μ-Methylene-bis[dibromido(diethyl ether-κO)aluminium(III)]: crystal structure and chemical exchange in solution Acta Crystallographica Section E 77(6) (2021) 647-652
Space group: C 1 2/c 1
Cell volume: 1833.7
Cell parameters: 8.3872; 12.1039; 18.1504; 90; 95.646; 90;

COD ID: 2243838

Formula: - C18 H16 N2 O3 -
Comments: Abad, Nadeem; El Ghayati, Lhoussaine; Kalonji Mubengayi, Camille; Essassi, El Mokhtar; Kaya, Savaş; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 2-(2-oxo-3-phenyl-1,2,3,8a-tetrahydroquinoxalin-1-yl)ethyl acetate Acta Crystallographica Section E 77(6) (2021) 643-646
Space group: P -1
Cell volume: 729.83
Cell parameters: 5.3518; 11.6989; 13.3527; 64.019; 80.323; 76.952;

COD ID: 2243839

Formula: - C22 H18 N2 O2 -
Comments: Kansiz, Sevgi; Tatlidil, Digdem; Dege, Necmi; Aktas, Feyzi Alkim; Al-Asbahy, Samir Osman Mohammed; Alaman Agar, Aysen Crystal structure and molecular docking study of (E)-2-{[(E)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one Acta Crystallographica Section E 77(6) (2021) 658-662
Space group: P 1 21/c 1
Cell volume: 1845.4
Cell parameters: 7.4089; 11.4544; 21.9491; 90; 97.814; 90;

COD ID: 2243840

Formula: - C29 H29 N3 O4 S -
Comments: Sayed, Eman M.; Hassanien, Reda; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Farhan, Nasser; Bakhite, Etify A.; Al-Waleedy, Safiyyah A. H. Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-phenylacetamide Acta Crystallographica Section E 77(6) (2021) 663-667
Space group: P 1 21/n 1
Cell volume: 2623.6
Cell parameters: 8.4506; 23.112; 13.601; 90; 99.021; 90;

COD ID: 2243841

Formula: - C16 H11 Cl N2 O2 -
Comments: Bougueria, Hassiba; Chetioui, Souheyla; Bensegueni, Mohammed Abdellatif; Djukic, Jean-Pierre; Benarous, Nesrine Crystal structure and Hirshfeld surface analysis of 1-[(E)-2-(5-chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1H)-one Acta Crystallographica Section E 77(6) (2021) 672-676
Space group: C 1 c 1
Cell volume: 2725.1
Cell parameters: 32.83; 4.4049; 18.844; 90; 90.13; 90;

COD ID: 2243842

Formula: - C20 H23 N O2 -
Comments: Miyamoto, Hisakazu; Takahashi, Hiroki Crystal structure and photoreactive behaviour of N,N-diisopropyl(p-phenylphenyl)glyoxylamide Acta Crystallographica Section E 77(6) (2021) 653-657
Space group: P 21 21 21
Cell volume: 1722.53
Cell parameters: 6.1313; 7.371; 38.1143; 90; 90; 90;

COD ID: 2243843

Formula: - C32 H36 Cu8 F36 O8 -
Comments: Purdy, Andrew P.; Butcher, Ray J. Tetrakis[μ~2~-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olato]tetrakis(μ~3~-2-methylpropan-2-olato)octacopper(I) Acta Crystallographica Section E 77(6) (2021) 668-671
Space group: P 1 21/n 1
Cell volume: 2612.88
Cell parameters: 10.3302; 19.5926; 13.1516; 90; 101.004; 90;

COD ID: 2243844

Formula: - C22 H48 Br2 Cu N4 O2 -
Comments: Moon, Dohyun; Jeon, Sunghwan; Lim, Woo Taik; Ryoo, Keon Sang; Choi, Jong-Ha Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) tetrabromide dihydrate, [Cu(C~22~H~44~N~4~)(H~2~O)~2~][Cu(C~22~H~44~N~4~)]Br~4~·2H~2~O Acta Crystallographica Section E 77(6) (2021) 677-680
Space group: P -1
Cell volume: 1350.8
Cell parameters: 8.08; 10.38; 17.511; 97.02; 92.91; 111.31;

COD ID: 2243845

Formula: - C34 H58 O2 -
Comments: Akduran, Nurcan; Karakurt, Tuncay; Hökelek, Tuncer Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate Acta Crystallographica Section E 77(7) (2021) 686-691
Space group: P 1 21 1
Cell volume: 1543.63
Cell parameters: 12.0622; 9.2715; 13.814; 90; 92.306; 90;

COD ID: 2243846

Formula: - C20 H18 N2 O3 -
Comments: Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher The crystal structures of three disordered 2-substituted benzimidazole esters Acta Crystallographica Section E 77(5) (2021) 473-479
Space group: C 1 2/c 1
Cell volume: 3402.6
Cell parameters: 17.947; 4.5907; 41.305; 90; 91.016; 90;

COD ID: 2243847

Formula: - C29 H24 N2 O2 -
Comments: Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher The crystal structures of three disordered 2-substituted benzimidazole esters Acta Crystallographica Section E 77(5) (2021) 473-479
Space group: P 1 21/c 1
Cell volume: 2274.5
Cell parameters: 18.467; 8.686; 14.242; 90; 95.359; 90;

COD ID: 2243848

Formula: - C21 H19 Cl N4 O2 -
Comments: Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher The crystal structures of three disordered 2-substituted benzimidazole esters Acta Crystallographica Section E 77(5) (2021) 473-479
Space group: P 1 21/n 1
Cell volume: 1965.8
Cell parameters: 11.1095; 9.5126; 18.6747; 90; 95.079; 90;

COD ID: 2243849

Formula: - C14 H6 F4 O2 -
Comments: Brown, Loren C.; Balaich, Gary J. Crystal structure of 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione Acta Crystallographica Section E 77(7) (2021) 700-702
Space group: P b c n
Cell volume: 1124.56
Cell parameters: 7.0588; 7.4008; 21.5265; 90; 90; 90;

COD ID: 2243850

Formula: - C18 H26 Cl6 N2 O4 Sn -
Comments: Ndiolene, Adrienne; Diop, Tidiane; Boye, Mouhamadou Sembène; Diasse-Sarr, Aminata; Englert, Ulli A new organic‒inorganic compound, ethylenediammonium hexachloridostannate(IV) p-anisaldehyde disolvate Acta Crystallographica Section E 77(7) (2021) 696-699
Space group: P 1 21/n 1
Cell volume: 1278.9
Cell parameters: 6.9762; 22.806; 8.0394; 90; 90.948; 90;

COD ID: 2243851

Formula: - C H5 I3 N2 -
Comments: Ordinartsev, Artem A.; Petrov, Andrey A.; Lyssenko, Konstantin A.; Petrov, Andrey V.; Goodilin, Eugene A.; Tarasov, Alexey B. Crystal structure of new formamidinium triiodide jointly refined by single-crystal XRD, Raman scattering spectroscopy and DFT assessment of hydrogen-bond network features Acta Crystallographica Section E 77(7) (2021) 692-695
Space group: P -1
Cell volume: 422.1
Cell parameters: 6.0767; 6.1886; 11.727; 97.512; 100.345; 99.437;

COD ID: 2243852

Formula: - C63 H80 Cu6 N8 O21 -
Comments: Kébé, Momath; Thiam, Ibrahima Elhadji; Sow, Mouhamadou Moustapha; Diouf, Ousmane; Barry, Aliou Hamady; Sall, Abdou Salam; Retailleau, Pascal; Gaye, Mohamed Hexanuclear copper(II) complex of 2-hydroxy-N,N'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine incorporating an open-cubane core Acta Crystallographica Section E 77(7) (2021) 708-713
Space group: P -1
Cell volume: 3372.7
Cell parameters: 13.6406; 14.0568; 18.5907; 83.626; 86.186; 72.288;

COD ID: 2243853

Formula: - C13 H27 N O6 Sr -
Comments: Seiss, Maximilian; Schmitz, Sebastian; Börner, Martin; Monakhov, Kirill Yu. Synthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of N-methyldiethanolamine and isobutyrate ligands Acta Crystallographica Section E 77(7) (2021) 703-707
Space group: P 1 21/c 1
Cell volume: 1764.52
Cell parameters: 8.1516; 19.1921; 11.4288; 90; 99.295; 90;

COD ID: 2243854

Formula: - C11 H8 Co N6 O4 -
Comments: Zhao, Chen; Li, Yi; Xiao, Jin-Sheng; Zhang, Peng-Dan; Wu, Xue-Qian; Chen, Qiang Synthesis and crystal structure of poly[(3-amino-1,2,4-triazole)(μ~3~-1H-benzimidazole-5,6-dicarboxylato)cobalt(II)] Acta Crystallographica Section E 77(7) (2021) 714-717
Space group: P 1 21/c 1
Cell volume: 1212.38
Cell parameters: 13.3368; 6.8727; 13.6015; 90; 103.478; 90;

COD ID: 2243855

Formula: - C17 H14 Cl N3 O4 -
Comments: Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynova, Afet T.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of ethyl 6'-amino-2'-(chloromethyl)-5'-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4'-pyran]-3'-carboxylate Acta Crystallographica Section E 77(7) (2021) 739-743
Space group: P -1
Cell volume: 810.92
Cell parameters: 8.0218; 10.2278; 10.6714; 98.8503; 108.005; 96.3852;

COD ID: 2243856

Formula: - C8 H16 Br2 Cu2 S2 -
Comments: Knorr, Michael; Viau, Lydie; Rousselin, Yoann; Kubicki, Marek M. Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)] Acta Crystallographica Section E 77(7) (2021) 744-748
Space group: P -1
Cell volume: 650.79
Cell parameters: 6.8076; 9.7078; 10.1579; 75.804; 89.845; 89.594;

COD ID: 2243857

Formula: - C21 H20 N2 O3 S -
Comments: Al-Waleedy, Safiyyah A. H.; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abbady, Mohamed S.; Bakhite, Etify A. Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenylethenyl]pyridin-2-yl}sulfanyl)acetate Acta Crystallographica Section E 77(7) (2021) 730-733
Space group: P 1 21/n 1
Cell volume: 1944.67
Cell parameters: 10.7365; 9.759; 18.56; 90; 90.066; 90;

COD ID: 2243858

Formula: - C12 H16 Cl4 Cu N2 -
Comments: Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis Acta Crystallographica Section E 77(7) (2021) 726-729
Space group: I 1 2/c 1
Cell volume: 1615.59
Cell parameters: 15.2354; 8.3683; 12.8372; 90; 99.205; 90;

COD ID: 2243859

Formula: - C15 H12 N2 O2 -
Comments: Ali, Arif; Muslim, Mohd; Kamaal, Saima; Ahmed, Adeeba; Ahmad, Musheer; Shahid, M.; Khan, Jamal A.; Dege, Necmi; Javed, Saleem; Mashrai, Ashraf Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid Acta Crystallographica Section E 77(7) (2021) 755-758
Space group: P 21 21 21
Cell volume: 1187.5
Cell parameters: 6.569; 12.7956; 14.1278; 90; 90; 90;

COD ID: 2243860

Formula: - C14 H12.448 N4 O7.224 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Huseynov, Fatali E.; Hajiyeva, Sevinj R.; Shamilov, Nazim T.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.224-hydrate Acta Crystallographica Section E 77(7) (2021) 759-764
Space group: C 1 2/c 1
Cell volume: 2925.2
Cell parameters: 24.2097; 12.6311; 10.4022; 90; 113.133; 90;

COD ID: 2243861

Formula: - C73 H126 Br8 N28 O4 P8 Re2 Ru4 -
Comments: Pacheco, Mario; Alvarez, Natalia; Cuevas, Alicia; Romerosa, Antonio; Lloret, Francesc; Kremer, Carlos Crystal structure and magnetic study of the complex salt [RuCp(PTA)~2~‒μ-CN-1κC:2κN‒RuCp(PTA)~2~][Re(NO)Br~4~(EtOH)~0.5~(MeOH)~0.5~] Acta Crystallographica Section E 77(7) (2021) 749-754
Space group: P 1 21/c 1
Cell volume: 5027.7
Cell parameters: 12.6027; 17.7075; 23.0252; 90; 101.914; 90;

COD ID: 2243862

Formula: - C22 H28 N O6 S3 -
Comments: Sribala, R.; Srinivasan, N.; Rajalaksmi, P.; Indumathi, S.; Krishnakumar, R.V. Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex Acta Crystallographica Section E 77(8) (2021) 770-774
Space group: P -1
Cell volume: 1178.87
Cell parameters: 10.6886; 11.4878; 11.8389; 76.007; 65.584; 63.213;

COD ID: 2243863

Formula: - C15 H13 Cl2 N3 O3 S -
Comments: Purandara, H.; Foro, Sabine; Thimme Gowda, B. Crystal structures of three N-acylhydrazone isomers Acta Crystallographica Section E 77(8) (2021) 780-784
Space group: P -1
Cell volume: 848.64
Cell parameters: 7.7426; 10.429; 10.934; 85.51; 76.92; 81.04;

COD ID: 2243864

Formula: - C15 H13 Cl2 N3 O3 S -
Comments: Purandara, H.; Foro, Sabine; Thimme Gowda, B. Crystal structures of three N-acylhydrazone isomers Acta Crystallographica Section E 77(8) (2021) 780-784
Space group: P -1
Cell volume: 833.59
Cell parameters: 9.491; 9.976; 10.446; 67.22; 66.8; 86.32;

COD ID: 2243865

Formula: - C15 H13 Cl2 N3 O3 S -
Comments: Purandara, H.; Foro, Sabine; Thimme Gowda, B. Crystal structures of three N-acylhydrazone isomers Acta Crystallographica Section E 77(8) (2021) 780-784
Space group: P -1
Cell volume: 879
Cell parameters: 6.7234; 10.281; 13.611; 74.98; 87.11; 75.34;

COD ID: 2243866

Formula: - C24 H16 Cl12 N2 O4 -
Comments: Alikhanova, Aygun I.; Atioğlu, Zeliha; Akkurt, Mehmet; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexachloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione Acta Crystallographica Section E 77(8) (2021) 775-779
Space group: P 1 21/c 1
Cell volume: 1531.24
Cell parameters: 8.9549; 10.5908; 16.6043; 90; 103.499; 90;

COD ID: 2243867

Formula: - C32 H84 Ca2 N12 O20 P4 -
Comments: Micallef, Duncan; Baisch, Ulrich Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] Acta Crystallographica Section E 77(8) (2021) 795-798
Space group: P 1 21/n 1
Cell volume: 2809.6
Cell parameters: 10.6249; 15.5774; 17.0925; 90; 96.707; 90;

COD ID: 2243868

Formula: - C15 H21 N O3 -
Comments: Martens, Viktor; Görls, Helmar; Imhof, Wolfgang Crystal structure of 2-oxo-2-phenylethyl diisopropylcarbamate Acta Crystallographica Section E 77(8) (2021) 785-787
Space group: P 1 21/c 1
Cell volume: 1429.33
Cell parameters: 18.4574; 5.702; 14.8058; 90; 113.468; 90;

COD ID: 2243869

Formula: - C17 H19 N3 O S -
Comments: Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T. 1-{(E)-[4-(4-Hydroxyphenyl)butan-2-ylidene]amino}-3-phenylthiourea: crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E 77(8) (2021) 788-794
Space group: P -1
Cell volume: 774.95
Cell parameters: 8.0605; 9.5635; 11.4397; 70.578; 82.671; 68.723;

COD ID: 2243870

Formula: - C14 H11 N O2 -
Comments: Thiruvalluvar, Aravazhi Amalan; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M. Synthesis and crystal structure of 1-hydroxy-8-methyl-9H-carbazole-2-carbaldehyde Acta Crystallographica Section E 77(9) (2021)
Space group: P 1 21/c 1
Cell volume: 2154
Cell parameters: 28.29; 3.9052; 20.264; 90; 105.817; 90;

COD ID: 2243871
CIF file HKL data	Formula: - C29 H39 Cl3 O7 - Comments: Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B. Withanolides from <i>Physalis angulata</i> L. Acta Crystallographica Section E 77(8) (2021) 804-808 Space group: P 1 21 1 Cell volume: 1482.8 Cell parameters: 7.3633; 15.952; 12.657; 90; 94.14; 90;

COD ID: 2243872
CIF file HKL data	Formula: - C28 H40 O7 - Comments: Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B. Withanolides from <i>Physalis angulata</i> L. Acta Crystallographica Section E 77(8) (2021) 804-808 Space group: P 1 Cell volume: 618.5 Cell parameters: 6.2374; 9.5938; 11.351; 112.81; 96.49; 93.13;

COD ID: 2243873

Formula: - C22 H14 Cl4 N4 -
Comments: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Ahmadova, Nigar E.; Askerov, Rizvan K.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzene Acta Crystallographica Section E 77(8) (2021) 814-818
Space group: P 1 21/c 1
Cell volume: 2225.1
Cell parameters: 16.0289; 13.1213; 11.1286; 90; 108.073; 90;

COD ID: 2243874
CIF file HKL data	Formula: - C26 H38 O5 S - Comments: Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre Crystal structures of two polymorphs of tixocortol pivalate Acta Crystallographica Section E 77(8) (2021) 809-813 Space group: P 21 21 21 Cell volume: 2364.74 Cell parameters: 6.4201; 17.6239; 20.8997; 90; 90; 90;

COD ID: 2243875
CIF file HKL data	Formula: - C26 H38 O5 S - Comments: Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre Crystal structures of two polymorphs of tixocortol pivalate Acta Crystallographica Section E 77(8) (2021) 809-813 Space group: P 21 21 21 Cell volume: 2434.1 Cell parameters: 6.0146; 19.2817; 20.9887; 90; 90; 90;

COD ID: 2243876

Formula: - C48 H50.27 Cu2 F6 N8 O1.13 Zr -
Comments: Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R. Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[MF~6~]·xH~2~O (M = Zr, Hf; x = 1.134, 0.671) Acta Crystallographica Section E 77(8) (2021) 819-823
Space group: P -1
Cell volume: 1116.33
Cell parameters: 8.6219; 10.8064; 12.9992; 103.078; 104.013; 98.863;

COD ID: 2243877

Formula: - C48 H49.34 Cu2 F6 Hf N8 O0.67 -
Comments: Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R. Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[MF~6~]·xH~2~O (M = Zr, Hf; x = 1.134, 0.671) Acta Crystallographica Section E 77(8) (2021) 819-823
Space group: P -1
Cell volume: 1112.08
Cell parameters: 8.5737; 10.7967; 13.0183; 103.273; 103.662; 98.785;

COD ID: 2243878

Formula: - C16 H12 F5 N3 O -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Niyazova, Aytan A.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide Acta Crystallographica Section E 77(8) (2021) 829-833
Space group: C 1 2/c 1
Cell volume: 3374.2
Cell parameters: 19.0048; 11.5216; 17.2227; 90; 116.526; 90;

COD ID: 2243879

Formula: - C20 H15 N O3 -
Comments: Bouzian, Younos; Chkirate, Karim; Mague, Joel T.; Al-Ostoot, Fares Hezam; Hammou Ahabchane, Noureddine; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate Acta Crystallographica Section E 77(8) (2021) 824-828
Space group: P 1 21/n 1
Cell volume: 1568.37
Cell parameters: 8.2284; 13.7693; 13.923; 90; 96.155; 90;

COD ID: 2243880

Formula: - C19 H16 N2 O4 -
Comments: El Hafi, Mohamed; Lahmidi, Sanae; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Amer, Bushra; Sebbar, Nada Kheira; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine Acta Crystallographica Section E 77(8) (2021) 834-838
Space group: P 1 21/c 1
Cell volume: 1573
Cell parameters: 7.0111; 11.0123; 20.493; 90; 96.202; 90;

COD ID: 2243881

Formula: - C44 H34 N8 O4 S2 Zn -
Comments: Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T. Bis{N'-[3-(4-nitrophenyl)-1-phenylprop-2-en-1-ylidene]-N-phenylcarbamimidothioato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E 77(8) (2021) 839-846
Space group: P 1 21/n 1
Cell volume: 3964
Cell parameters: 13.4029; 15.831; 19.6257; 90; 107.841; 90;

COD ID: 2243882

Formula: - C26 H23 Fe O P S -
Comments: Bandyopadhyay, Uchchhal; Sundararaju, Basker; Poli, Rinaldo; Manoury, Eric; Daran, Jean-Claude Synthesis and crystallographic studies of 2-(diphenylphosphinothioyl)-2-(3-oxobut-1-en-yl)ferrocene Acta Crystallographica Section E 77(8) (2021) 853-856
Space group: P 1 21/c 1
Cell volume: 2194.7
Cell parameters: 7.3643; 17.909; 16.71; 90; 95.23; 90;

COD ID: 2243883

Formula: - C16 H13 N3 O2 S -
Comments: Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G. Crystal structure of N'-[2-(benzo[d]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group P1 with Z = 1 Acta Crystallographica Section E 77(9) (2021)
Space group: P 1
Cell volume: 359.638
Cell parameters: 4.71248; 6.96463; 11.5455; 105.617; 95.7876; 95.9993;

COD ID: 2243884

Formula: - C18 H12 N2 O2 -
Comments: Singh, Neetu; Noh, Ga Hee; Park, Hyoung-Ryun; Lee, Junseong Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9H-carbazole Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1392.39
Cell parameters: 9.266; 12.959; 13.101; 96.2487; 109.181; 106.106;

COD ID: 2243885

Formula: - C27 H46 N2 -
Comments: Naumann, Roxanne A.; Ziller, Joseph W.; Liberman-Martin, Allegra L. Crystal structure of 2-(2,6-diisopropylphenyl)-N,N-diethyl-3,3-dimethyl-2-azaspiro[4.5]decan-1-amine: a diethylamine adduct of a cyclic(alkyl)(amino)carbene (CAAC) Acta Crystallographica Section E 77(9) (2021)
Space group: P 1 21/n 1
Cell volume: 2403.9
Cell parameters: 12.3319; 14.4082; 13.6155; 90; 96.4589; 90;

COD ID: 2243886

Formula: - C33 H28 N2 O4 -
Comments: Zhang, Xue-Jun Crystal structure and Hirshfeld analysis of diethyl (2E,2'E)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1H-indole-2,7-diyl]diacrylate Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1367.1
Cell parameters: 7.6918; 13.299; 14.13; 75.026; 81.728; 79.838;

COD ID: 2243887

Formula: - C27 H51 Bi2 I9 N6 -
Comments: James, Zoe; Cai, Yunhe; Vaqueiro, Paz Crystal structure of (C~9~H~17~N~2~)~3~[Bi~2~I~9~] Acta Crystallographica Section E 77(9) (2021)
Space group: P 1 21/c 1
Cell volume: 4723.4
Cell parameters: 19.259; 12.5734; 21.6767; 90; 115.861; 90;

COD ID: 2243888

Formula: - C15 H12 N2 O3 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Askerov, Rizvan K.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one Acta Crystallographica Section E 77(9) (2021)
Space group: C 1 2/c 1
Cell volume: 2569.6
Cell parameters: 17.436; 7.2485; 20.595; 90; 99.181; 90;

COD ID: 2243889

Formula: - C23 H18 Cl Fe N -
Comments: Sghyar, Riham; Moussaoui, Oussama; Sebbar, Nada Kheira; Ait Elmachkouri, Younesse; Irrou, Ezaddine; Hökelek, Tuncer; Mague, Joel T.; Bentama, Abdesslam; El hadrami, El Mestafa Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chlorophenyl)-N-(4-ferrocenylphenyl)methanimine Acta Crystallographica Section E 77(9) (2021)
Space group: P b c a
Cell volume: 3588.3
Cell parameters: 10.0991; 7.7277; 45.979; 90; 90; 90;

COD ID: 2243890

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1830.7
Cell parameters: 8.3876; 8.3876; 30.048; 90; 90; 120;

COD ID: 2243891

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1840.2
Cell parameters: 8.4006; 8.4006; 30.111; 90; 90; 120;

COD ID: 2243892

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1856.7
Cell parameters: 8.426; 8.426; 30.197; 90; 90; 120;

COD ID: 2243893

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1862.4
Cell parameters: 8.4337; 8.4337; 30.235; 90; 90; 120;

COD ID: 2243894

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1879
Cell parameters: 8.457; 8.457; 30.33; 90; 90; 120;

COD ID: 2243895

Formula: - C28 H25 Mo O3 P -
Comments: Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G. Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1195.14
Cell parameters: 9.1719; 11.7493; 12.6049; 113.083; 99.148; 99.38;

COD ID: 2243896

Formula: - C28 H22 F3 Mo O3 P -
Comments: Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G. Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes Acta Crystallographica Section E 77(9) (2021)
Space group: P 1 21/c 1
Cell volume: 4916.7
Cell parameters: 11.7991; 18.6907; 22.4744; 90; 97.256; 90;

COD ID: 2243897

Formula: - C32 H33 Cl2 Mo O6 P -
Comments: Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G. Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1566.43
Cell parameters: 10.5308; 12.1305; 13.6154; 97.66; 104.759; 107.081;

COD ID: 2243898

Formula: - C20 H15 Cl2 N3 O2 -
Comments: Naghiyev, Farid N.; Pavlova, Anastasiya V.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of (Z)-2-amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile Acta Crystallographica Section E 77(9) (2021)
Space group: P 1 21/c 1
Cell volume: 1814.9
Cell parameters: 9.662; 27.01; 7.4782; 90; 111.571; 90;

COD ID: 2243899

Formula: - C12 H24 Cd N12 Na2 O20 -
Comments: Divya, R.; Bijini, B. R.; Dhanya, V. S.; Babu, K. Rajendra; Sithambaresan, M. Synthesis and crystal structure of a heterobimetallic cadmium‒sodium complex of 1,3,5-triazine-2,4,6-trione, [CdNa~2~(C~3~H~2~N~3~O~3~)~4~(H~2~O)~8~] Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1342.53
Cell parameters: 7.0501; 10.0314; 19.5058; 101.023; 90.468; 97.233;

COD ID: 2243900

Formula: - C12 H14.2 Co2 N O11.6 -
Comments: Ma, Jie; Zhang, Wen-Zhi; Liu, Yong; Yi, Wen-Tao Synthesis, crystal structure and magnetic properties of poly[[diaqua{μ~6~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate] Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 772.37
Cell parameters: 9.0064; 9.234; 9.8426; 93.859; 105.571; 99.483;

COD ID: 2243901

Formula: - C60 H50 Co2 Ge N10 O24 -
Comments: Buchko, Olha; Dyakonenko, Viktoriya; Martsinko, Elena; Chebanenko, Elena Crystal structure of bis[cis-diaquabis(phenanthroline)cobalt(II)] bis(citrato)germanate(IV) dinitrate Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1633.99
Cell parameters: 10.6719; 11.8089; 14.0901; 105.697; 94.026; 104.815;

COD ID: 2243902

Formula: - C12 H29 Co2 N O19 -
Comments: Ma, Jie; Zhang, Wen-Zhi; Xiong, Jie; Yan, Chun-Yan Synthesis and crystal structure of catena-poly[[hexaaqua{μ~3~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate] containing water tapes and pentamers Acta Crystallographica Section E 77(9) (2021)
Space group: P -1
Cell volume: 1155.6
Cell parameters: 9.7653; 11.725; 11.8191; 64.882; 71.276; 86.692;

COD ID: 2243903

Formula: - C3 H3 Cl N2 -
Comments: Rue, Kelly; Raptis, Raphael G. Low-temperature crystal structure of 4-chloro-1H-pyrazole Acta Crystallographica Section E 77(9) (2021) 1
Space group: P n m a
Cell volume: 1312.12
Cell parameters: 14.9122; 17.641; 4.9878; 90; 90; 90;

COD ID: 2243904
CIF file Original IUCr paper	Formula: - C12 H9 N3 O2 - Comments: Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E 77(9) (2021) Space group: P n a 21 Cell volume: 1041.55 Cell parameters: 16.2689; 12.8086; 4.9983; 90; 90; 90;

COD ID: 2243905
CIF file Original IUCr paper	Formula: - C12 H8 F N3 O2 - Comments: Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E 77(9) (2021) Space group: P n a 21 Cell volume: 1053.71 Cell parameters: 16.6058; 12.9096; 4.9153; 90; 90; 90;

COD ID: 2243906
CIF file Original IUCr paper	Formula: - C12 H7 F2 N3 O2 - Comments: Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E 77(9) (2021) Space group: I 1 2/a 1 Cell volume: 1052.94 Cell parameters: 6.7062; 14.119; 11.2074; 90; 97.14; 90;

COD ID: 2243907

Formula: - C16 H14 Cl2 N2 O -
Comments: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Qacar, Ayten M.; Askerov, Rizvan K.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene Acta Crystallographica Section E 77(9) (2021) 965-970
Space group: P 1 21 1
Cell volume: 1587.65
Cell parameters: 5.5366; 17.9208; 16.2085; 90; 99.173; 90;

COD ID: 2243908

Formula: - C17 H14 Cl2 N4 -
Comments: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (E)-4-({2,2-dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile Acta Crystallographica Section E 77(10) (2021)
Space group: P 1 21/n 1
Cell volume: 1627.1
Cell parameters: 12.396; 6.528; 20.758; 90; 104.39; 90;

COD ID: 2243909

Formula: - C8 H5 N3 O3 -
Comments: Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon Crystal structures of 6-nitroquinazolin-4(3H)-one, 6-aminoquinazolin-4(3H)-one and 4-aminoquinazoline hemihydrochloride dihydrate Acta Crystallographica Section E 77(10) (2021)
Space group: P -1
Cell volume: 401.45
Cell parameters: 5.5587; 8.6673; 8.7649; 105.654; 98.56; 90.784;

COD ID: 2243910

Formula: - C8 H7 N3 O -
Comments: Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon Crystal structures of 6-nitroquinazolin-4(3H)-one, 6-aminoquinazolin-4(3H)-one and 4-aminoquinazoline hemihydrochloride dihydrate Acta Crystallographica Section E 77(10) (2021)
Space group: P c a 21
Cell volume: 1439.99
Cell parameters: 13.4535; 4.951; 21.6188; 90; 90; 90;

COD ID: 2243911

Formula: - C16 H19 Cl N6 O2 -
Comments: Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon Crystal structures of 6-nitroquinazolin-4(3H)-one, 6-aminoquinazolin-4(3H)-one and 4-aminoquinazoline hemihydrochloride dihydrate Acta Crystallographica Section E 77(10) (2021)
Space group: P 1 21/n 1
Cell volume: 1763.5
Cell parameters: 14.3512; 7.5867; 16.2282; 90; 93.544; 90;

COD ID: 2243912

Formula: - C21 H25 N5 O8 S2 -
Comments: Fujii, Isao Crystal structure of nafamostat dimesylate Acta Crystallographica Section E 77(10) (2021) 999-1002
Space group: P 1 21/c 1
Cell volume: 2341.93
Cell parameters: 11.0631; 9.7215; 21.9271; 90; 96.746; 90;

COD ID: 2243913

Formula: - C19 H16 O3 -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products Acta Crystallographica Section E 77(10) (2021)
Space group: P -1
Cell volume: 755
Cell parameters: 8.643; 9.9526; 10.0677; 79.039; 70.124; 68.366;

COD ID: 2243914

Formula: - C28 H23 N3 O2 S -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products Acta Crystallographica Section E 77(10) (2021)
Space group: C 1 c 1
Cell volume: 2369.1
Cell parameters: 15.7724; 17.6042; 9.3589; 90; 114.259; 90;

COD ID: 2243915

Formula: - C29 H25 N3 O2 S -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products Acta Crystallographica Section E 77(10) (2021)
Space group: C 1 c 1
Cell volume: 2472.7
Cell parameters: 16.5634; 17.725; 9.4032; 90; 116.401; 90;

COD ID: 2243916

Formula: - C73 H79.94 F2 Fe8 N9 O32.47 -
Comments: Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C. Hexa-μ-acetato-chlorido(μ-N,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-N,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24) Acta Crystallographica Section E 77(10) (2021) 1003-1009
Space group: F d d 2
Cell volume: 17891
Cell parameters: 31.676; 44.806; 12.6056; 90; 90; 90;

COD ID: 2243917

Formula: - C34 H39 Cl Fe4 N4 O17 -
Comments: Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C. Hexa-μ-acetato-chlorido(μ-N,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-N,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24) Acta Crystallographica Section E 77(10) (2021) 1003-1009
Space group: P 1 21 1
Cell volume: 2096.64
Cell parameters: 11.846; 15.5041; 12.6425; 90; 115.449; 90;

COD ID: 2243918

Formula: - C12 H60 Cl7 Co2 N12 Na O6 -
Comments: Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R. Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride) Acta Crystallographica Section E 77(10) (2021)
Space group: P -3 c 1
Cell volume: 1762.61
Cell parameters: 11.429; 11.429; 15.5815; 90; 90; 120;

COD ID: 2243919

Formula: - C44 H52 N8 O18 Pd Re4 -
Comments: Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate) Acta Crystallographica Section E 77(10) (2021)
Space group: C 1 2/c 1
Cell volume: 5420
Cell parameters: 21.1079; 14.0026; 19.4346; 90; 109.342; 90;

COD ID: 2243920

Formula: - C82 H60 O10 P4 Pd4 Re2 -
Comments: Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate) Acta Crystallographica Section E 77(10) (2021)
Space group: P -1
Cell volume: 2060.1
Cell parameters: 12.9278; 13.5132; 14.1184; 105.983; 108.51; 106.129;

COD ID: 2243921

Formula: - C12 H22 Li4 N12 O19 -
Comments: Ponnuvel, Anjapuli; Kala, Arumugam Pillai; Nagaraja, Karachalacherevu Seetharamiah; Karnan, Chandran Polymeric coordination complex of lithium(I) with aqua and cyanurate ligands Acta Crystallographica Section E 77(10) (2021)
Space group: P -1
Cell volume: 620.88
Cell parameters: 8.853; 9.0592; 9.6621; 67.806; 62.887; 68.58;

COD ID: 2243922

Formula: - C20 H18 O3 -
Comments: Seidel, Pierre; Schwarzer, Anke; Mazik, Monika Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde Acta Crystallographica Section E 77(10) (2021) 1
Space group: P 1 21/c 1
Cell volume: 1579.4
Cell parameters: 15.6595; 13.1466; 7.6834; 90; 93.146; 90;

COD ID: 2243923

Formula: - C18 H42 Cd2 Cl7 Fe N6 O6 -
Comments: Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N. Crystal structure of hexakis(N,N-dimethylformamide-κO)iron(III) μ-chlorido-bis(trichloridocadmium) Acta Crystallographica Section E 77(10) (2021)
Space group: R -3 :H
Cell volume: 2627.51
Cell parameters: 13.7143; 13.7143; 16.1312; 90; 90; 120;

COD ID: 2243924

Formula: - C23 H28 N2 O -
Comments: Abad, Nadeem; Chkirate, Karim; Al-Ostoot, Fares Hezam; Van Meervelt, Luc; Lahmidi, Sanae; Ferfra, Souad; Ramli, Youssef; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one Acta Crystallographica Section E 77(10) (2021) 1037-1042
Space group: P -1
Cell volume: 990.83
Cell parameters: 5.2353; 13.5065; 14.3158; 98.045; 98.327; 91.255;

COD ID: 2243925

Formula: - C24 H18 Cl3 N O3 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-N,N-bis{[(1RS,4SR)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide Acta Crystallographica Section E 77(10) (2021) 1048-1053
Space group: P 1 21/n 1
Cell volume: 2163.48
Cell parameters: 15.0134; 8.1336; 18.2841; 90; 104.307; 90;

COD ID: 2243926

Formula: - C99.45 H94.9 B2 Cl2.9 Mn2 N6 O6 -
Comments: Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P. Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands Acta Crystallographica Section E 77(10) (2021) 982-988
Space group: P -1
Cell volume: 2220.3
Cell parameters: 11.6553; 13.6846; 16.1109; 96.842; 105.959; 111.907;

COD ID: 2243927

Formula: - C50 H52 B Mn N3 O5 -
Comments: Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P. Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands Acta Crystallographica Section E 77(10) (2021) 982-988
Space group: P 1 21/c 1
Cell volume: 4310.3
Cell parameters: 10.3504; 17.4824; 23.9618; 90; 96.222; 90;

COD ID: 2243928

Formula: - C15 H18 N4 O2 -
Comments: Pokhodylo, Nazariy T.; Slyvka, Yurii; Pavlyuk, Volodymyr Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-N-(2-hydroxyethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide Acta Crystallographica Section E 77(10) (2021)
Space group: P 1 21/c 1
Cell volume: 1495.9
Cell parameters: 14.3158; 8.3972; 13.0871; 90; 108.04; 90;

COD ID: 2243929

Formula: - C19 H28 N2 O5 S -
Comments: Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan Crystal structures of two alanylpiperidine analogues Acta Crystallographica Section E 77(11) (2021)
Space group: P -1
Cell volume: 1033.47
Cell parameters: 8.5368; 9.6594; 13.5173; 75.947; 79.302; 74.554;

COD ID: 2243930

Formula: - C17 H24 N2 O5 S -
Comments: Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan Crystal structures of two alanylpiperidine analogues Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21/n 1
Cell volume: 1820.97
Cell parameters: 12.1013; 12.3092; 12.4348; 90; 100.546; 90;

COD ID: 2243931

Formula: - C21 H25 N O3 -
Comments: Martens, Viktor; Görls, Helmar; Imhof, Wolfgang Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21 1
Cell volume: 1826.33
Cell parameters: 15.7976; 5.9184; 19.534; 90; 90.31; 90;

COD ID: 2243932

Formula: - C31 H28 F3 N O5 S -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21/n 1
Cell volume: 2644.9
Cell parameters: 11.1507; 18.4653; 12.8519; 90; 91.786; 90;

COD ID: 2243933

Formula: - C3 H6 N4 O2 -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B. Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt Acta Crystallographica Section E 77(11) (2021)
Space group: P n a 21
Cell volume: 605.22
Cell parameters: 10.7174; 13.8944; 4.0643; 90; 90; 90;

COD ID: 2243934

Formula: - C9 H7 N O3 -
Comments: Poirot, Alexandre; Saffon-Merceron, Nathalie; Leygue, Nadine; Benoist, Eric; Fery-Forgues, Suzanne Crystal structure of methyl 1,3-benzoxazole-2-carboxylate Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21 1
Cell volume: 403.04
Cell parameters: 6.8165; 4.4676; 13.2879; 90; 95.1319; 90;

COD ID: 2243935

Formula: - C16 H17 N O -
Comments: Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol Acta Crystallographica Section E 77(11) (2021)
Space group: P b c a
Cell volume: 2683.7
Cell parameters: 7.6699; 11.608; 30.1431; 90; 90; 90;

COD ID: 2243936
CIF file HKL data	Formula: - C24 H36 N4 O6 Si2 - Comments: Böhme, Uwe; Schwarzer, Anke; Günther, Betty Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand Acta Crystallographica Section E 77(11) (2021) Space group: I 1 2/c 1 Cell volume: 2816.7 Cell parameters: 12.9641; 16.8966; 13.1085; 90; 101.198; 90;

COD ID: 2243937

Formula: - C6 H N8 O8 Rb -
Comments: Domasevitch, Kostiantyn V.; Ponomarova, Vira V. Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species Acta Crystallographica Section E 77(11) (2021)
Space group: C 1 2/c 1
Cell volume: 2435.8
Cell parameters: 19.44; 8.607; 16.0977; 90; 115.264; 90;

COD ID: 2243938

Formula: - C6 H Cs N8 O8 -
Comments: Domasevitch, Kostiantyn V.; Ponomarova, Vira V. Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species Acta Crystallographica Section E 77(11) (2021)
Space group: C 1 2/c 1
Cell volume: 2553.4
Cell parameters: 19.944; 8.6307; 16.2083; 90; 113.766; 90;

COD ID: 2243939

Formula: - C30 H58 Co N20 O2 S2 -
Comments: Krebs, Christoph; Ceglarska, Magdalena; Näther, Christian Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21/c 1
Cell volume: 1929.93
Cell parameters: 13.0008; 12.5903; 12.9988; 90; 114.899; 90;

COD ID: 2243940

Formula: - C32 H46 Cl4 N6 Ni2 O2 -
Comments: Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21 1
Cell volume: 1792.9
Cell parameters: 13.3729; 8.9363; 16.4248; 90; 114.014; 90;

COD ID: 2243941

Formula: - C16 H20 Co N6 S2 -
Comments: Krebs, Christoph; Jess, Inke; Näther, Christian Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II) Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21/m 1
Cell volume: 952.61
Cell parameters: 5.3708; 15.22; 11.8014; 90; 99.076; 90;

COD ID: 2243942

Formula: - C16 H20 Co N6 S2 -
Comments: Krebs, Christoph; Jess, Inke; Näther, Christian Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II) Acta Crystallographica Section E 77(11) (2021)
Space group: P 1 21/c 1
Cell volume: 1912.52
Cell parameters: 13.9171; 9.5114; 14.4487; 90; 90.489; 90;

COD ID: 2243943

Formula: - C12 H26 Hg N2 O2 S4 -
Comments: Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](N,N,N',N'-tetramethylethane-1,2-diamine)mercury(II) Acta Crystallographica Section E 77(11) (2021)
Space group: P b c n
Cell volume: 2084
Cell parameters: 12.235; 8.017; 21.251; 90; 90; 90;

COD ID: 2243968

Formula: - C26 H24 N2 O2 S2 -
Comments: Yennawar, Hemant P.; Medica, Joseph J.; Silverberg, Lee J. Synthesis and crystal structure of racemic (R*,R*)-2,2'-(1,4-phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one) Acta Crystallographica Section E 77(12) (2021) 1263-1266
Space group: P b c a
Cell volume: 4394.2
Cell parameters: 9.6963; 17.6307; 25.7044; 90; 90; 90;

COD ID: 2243969

Formula: - C14 H18 K4 N8 Ni2 O17 -
Comments: Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Golenya, Irina A.; Mulloev, Nurullo U. A second solvatomorph of poly[[μ~4~-N,N'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization Acta Crystallographica Section E 77(12) (2021) 1289-1295
Space group: P 1 21/c 1
Cell volume: 2689.7
Cell parameters: 20.3825; 7.7039; 17.3078; 90; 98.24; 90;

COD ID: 2243970

Formula: - Pb2 Rh0.95 -
Comments: Mochiku, Takashi; Matsushita, Yoshitaka; Subotić, Nikola; Kashiwagi, Takanari; Kadowaki, Kazuo Redetermination of the crystal structure of RhPb~2~ from single-crystal X-ray diffraction data, revealing a rhodium deficiency Acta Crystallographica Section E 77(12) (2021) 1327-1329
Space group: I 4/m c m
Cell volume: 263.69
Cell parameters: 6.7068; 6.7068; 5.8623; 90; 90; 90;

COD ID: 2243971

Formula: - C14 H22 Au Br2 I N4 -
Comments: Büssing, Rolf; Ott, Ingo; Jones, Peter G. Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with trans-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide Acta Crystallographica Section E 77(12) (2021) 1249-1252
Space group: P -1
Cell volume: 1011.99
Cell parameters: 8.4676; 8.8248; 14.0119; 76.374; 85.32; 85.251;

COD ID: 2243972

Formula: - C28 H44 Au2 Br4 I4 N8 -
Comments: Büssing, Rolf; Ott, Ingo; Jones, Peter G. Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with trans-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide Acta Crystallographica Section E 77(12) (2021) 1249-1252
Space group: P -1
Cell volume: 1091.77
Cell parameters: 8.0245; 8.5782; 15.9814; 91.228; 96.517; 92.255;

COD ID: 2243973

Formula: - C17 H20 Cl N5 O4 Zn -
Comments: Shyshkina, Mariia O.; Shishkina, Svitlana V.; Ostras, Konstantin S.; Gorobets, Nikolay Yu.; Chebanov, Valentyn A.; Desenko, Sergey M. The first coordination complex of (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine with zinc(II) acetate-chloride Acta Crystallographica Section E 77(12) (2021) 1323-1326
Space group: P 1 21/c 1
Cell volume: 1994.63
Cell parameters: 10.6267; 12.8015; 15.1646; 90; 104.788; 90;

COD ID: 2243974

Formula: - C54 H45 O6 Sb3 Te -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A. Tris[triphenylantimony(V)]hexa(μ-oxido)tellurium(VI): a molecular complex with six Te—O—Sb bridges Acta Crystallographica Section E 77(12) (2021) 1229-1233
Space group: C 1 2/c 1
Cell volume: 9673
Cell parameters: 47.714; 9.1176; 22.9324; 90; 104.168; 90;

COD ID: 2243975

Formula: - C19 H27 Cl2 N5 O2 -
Comments: Merabet, Layachi; Tassé, Marine; Mallet-Ladeira, Sonia; Kaboub, Lakhemici; Malfant, Isabelle Crystal structure of 1,1'-(pyridine-2,6-diyl)bis[N-(pyridin-2-ylmethyl)methanaminium] dichloride dihydrate Acta Crystallographica Section E 77(12) (2021) 1296-1298
Space group: P -1
Cell volume: 1004.51
Cell parameters: 7.1579; 8.8119; 17.415; 80.357; 80.805; 68.919;

COD ID: 2243976

Formula: - C36 H37 F12 Ge I U -
Comments: Tarlton, Michael L.; Kelley, Steven P.; Walensky, Justin R. Crystal structures of metallocene complexes with uranium–germanium bonds Acta Crystallographica Section E 77(12) (2021) 1258-1262
Space group: C 1 2/c 1
Cell volume: 7905.2
Cell parameters: 23.647; 21.123; 16.8132; 90; 109.727; 90;

COD ID: 2243977
CIF file HKL data	Formula: - C37 H39 F13 Ge U - Comments: Tarlton, Michael L.; Kelley, Steven P.; Walensky, Justin R. Crystal structures of metallocene complexes with uranium–germanium bonds Acta Crystallographica Section E 77(12) (2021) 1258-1262 Space group: C 1 2/c 1 Cell volume: 7500.5 Cell parameters: 34.16; 13.5237; 16.2986; 90; 95.028; 90;

COD ID: 2243978

Formula: - C16 H18 Cl N3 O -
Comments: Fritsky, Igor O.; Sirenko, Valerii Y.; Shova, Sergiu; Kucheriv, Olesia I.; Gural'skiy, Il'ya A. Crystal structure of 9-aminoacridinium chloride N,N-dimethylformamide monosolvate Acta Crystallographica Section E 77(12) (2021) 1303-1306
Space group: P 1 21/c 1
Cell volume: 3102.8
Cell parameters: 10.5819; 42.705; 7.2531; 90; 108.8; 90;

COD ID: 2243979

Formula: - C9 H12 N5 P -
Comments: Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A. The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section E 77(12) (2021) 1190-1196
Space group: P b c m
Cell volume: 1102.81
Cell parameters: 6.0092; 13.6227; 13.4716; 90; 90; 90;

COD ID: 2243980
CIF file HKL data	Formula: - C15 H24 N7 P - Comments: Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A. The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section E 77(12) (2021) 1190-1196 Space group: P 1 21/m 1 Cell volume: 846.99 Cell parameters: 6.5807; 12.3447; 10.7719; 90; 104.555; 90;

COD ID: 2243981

Formula: - C48 H33 Cl O6 -
Comments: Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Bogashchenko, Tatiana Yu.; Lyapunov, Alexander Yu.; Kirichenko, Tatiana I. Fluorenonophane chlorobenzene solvate: molecular and crystal structures Acta Crystallographica Section E 77(12) (2021) 1285-1288
Space group: P 1
Cell volume: 854.82
Cell parameters: 6.2278; 9.6965; 14.9822; 105.288; 97.126; 96.919;

COD ID: 2243982

Formula: - C16 H14 N2 O2 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Askerov, Rizvan K.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-dimethylphenyl)hydrazinylidene]benzofuran-2(3H)-one Acta Crystallographica Section E 77(12) (2021) 1280-1284
Space group: P 1 21/c 1
Cell volume: 1378.59
Cell parameters: 8.8644; 19.9222; 8.1736; 90; 107.24; 90;

COD ID: 2243983

Formula: - C68 H46 O20 Sr3 -
Comments: Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers Acta Crystallographica Section E 77(12) (2021) 1243-1248
Space group: P -1
Cell volume: 1979
Cell parameters: 9.24; 11.33; 19.414; 80.147; 81.815; 85.494;

COD ID: 2243984

Formula: - C40 H32 N2 O10 Sr2 -
Comments: Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers Acta Crystallographica Section E 77(12) (2021) 1243-1248
Space group: P 1 21/c 1
Cell volume: 1780.43
Cell parameters: 5.935; 18.613; 16.1256; 90; 91.853; 90;

COD ID: 2243985

Formula: - C20 H78 Cu10 N20 O51 S3 Tb2 -
Comments: Pavlishchuk, Anna V.; Vasylenko, Inna V.; Zeller, Matthias; Addison, Anthony W. Crystal structure of a Tb^III^–Cu^II^ glycinehydroxamate 15-metallacrown-5 sulfate complex Acta Crystallographica Section E 77(12) (2021) 1197-1202
Space group: P -1
Cell volume: 1719.81
Cell parameters: 9.637; 11.5888; 16.2367; 99.6716; 91.3031; 105.312;

COD ID: 2243986

Formula: - C13 H14 N4 O -
Comments: Gumus, Mustafa Kemal; Sen, Fatih; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclobutyl-1H-1,2,4-triazol-5-yl)imino]methyl}phenol Acta Crystallographica Section E 77(12) (2021) 1267-1271
Space group: P 1 21 1
Cell volume: 1940.02
Cell parameters: 5.2717; 24.9066; 14.8628; 90; 96.214; 90;

COD ID: 2243987

Formula: - C21 H12 Ag F7 N4 O3 S -
Comments: Moon, Suk-Hee; Paek, Sanghyun; Kang, Youngjin Synthesis, crystal structure and photophysical properties of bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κN](trifluoromethanesulfonato-κO)silver(I) Acta Crystallographica Section E 77(12) (2021) 1224-1228
Space group: P -1
Cell volume: 1136.26
Cell parameters: 9.0627; 10.9637; 12.5727; 82.4508; 73.7215; 71.549;

COD ID: 2243988

Formula: - C24 H110 N16 Ni4 O38 Ta6 -
Comments: Krause, Dana-Céline; Näther, Christian; Bensch, Wolfgang Synthesis and crystal structure of bis[μ-N,N-bis(2-aminoethyl)ethane-1,2-diamine]bis[N,N-bis(2-aminoethyl)ethane-1,2-diamine]-μ~4~-oxido-hexa-μ~3~-oxido-octa-μ~2~-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate Acta Crystallographica Section E 77(12) (2021) 1253-1257
Space group: P -1
Cell volume: 1657.75
Cell parameters: 10.5033; 12.098; 13.864; 73.748; 80.918; 80.842;

COD ID: 2243989

Formula: - O8 Sn Te3 -
Comments: Ketter, Michael; Weil, Matthias Single crystals of SnTe~3~O~8~ in the millimetre range grown by chemical vapor transport reactions Acta Crystallographica Section E 77(12) (2021) 1276-1279
Space group: I a -3
Cell volume: 1388.96
Cell parameters: 11.1574; 11.1574; 11.1574; 90; 90; 90;

COD ID: 2243990

Formula: - Fe K1.65 Na0.35 O12 P3 Ti -
Comments: Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S. Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework Acta Crystallographica Section E 77(12) (2021) 1299-1302
Space group: P 21 3
Cell volume: 947
Cell parameters: 9.8201; 9.8201; 9.8201; 90; 90; 90;

COD ID: 2243991

Formula: - Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26 -
Comments: Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S. Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework Acta Crystallographica Section E 77(12) (2021) 1299-1302
Space group: P 21 3
Cell volume: 939.608
Cell parameters: 9.7945; 9.7945; 9.7945; 90; 90; 90;

COD ID: 2243992

Formula: - C11 H11 Br2 N -
Comments: Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt Acta Crystallographica Section E 77(12) (2021) 1203-1207
Space group: P 21 21 21
Cell volume: 1185.81
Cell parameters: 8.7761; 11.3876; 11.8654; 90; 90; 90;

COD ID: 2243993

Formula: - C12 H14 Br2 I N -
Comments: Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt Acta Crystallographica Section E 77(12) (2021) 1203-1207
Space group: P 1 21/m 1
Cell volume: 720.53
Cell parameters: 8.3507; 7.3719; 11.718; 90; 92.755; 90;

COD ID: 2243994

Formula: - C20 H26 Cu N2 O6 -
Comments: Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana A bis-chelate o-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand Acta Crystallographica Section E 77(12) (2021) 1272-1275
Space group: P n a 21
Cell volume: 2048.6
Cell parameters: 8.3068; 24.328; 10.137; 90; 90; 90;

COD ID: 2243995

Formula: - C26 H60 Cu N6 O10 -
Comments: Yasmin, Sabina; Rabi, Saswata; Chakraborty, Avijit; Kwong, Huey Chong; Tiekink, Edward R. T.; Roy, Tapashi Ghosh [rac-1,8-Bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane]copper(II) diacetate tetrahydrate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E 77(12) (2021) 1316-1322
Space group: P 1 21/n 1
Cell volume: 1695.24
Cell parameters: 8.5733; 14.2616; 13.9853; 90; 97.525; 90;

COD ID: 2244185

Formula: - C14 H14 Cl2 N2 O2 Zn -
Comments: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride Acta Crystallographica Section E 77(9) (2021) 880-886
Space group: P 1 21/n 1
Cell volume: 3121.8
Cell parameters: 20.6241; 7.3309; 20.6485; 90; 90.532; 90;

COD ID: 2244186

Formula: - C16 H18 Cl2 N2 O2 Zn -
Comments: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride Acta Crystallographica Section E 77(9) (2021) 880-886
Space group: P 1 21 1
Cell volume: 880.23
Cell parameters: 7.3802; 8.2491; 14.5953; 90; 97.852; 90;

COD ID: 2244187

Formula: - C16 H18 Cl2 N2 O2 Zn -
Comments: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride Acta Crystallographica Section E 77(9) (2021) 880-886
Space group: C 1 2/c 1
Cell volume: 1777.7
Cell parameters: 13.9452; 18.9742; 7.0651; 90; 108.021; 90;

COD ID: 2244188

Formula: - C16 H18 Cl2 N2 O2 Zn -
Comments: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride Acta Crystallographica Section E 77(9) (2021) 880-886
Space group: P 1 21/c 1
Cell volume: 1756.73
Cell parameters: 6.8376; 17.2694; 14.9856; 90; 96.893; 90;

COD ID: 2244189

Formula: - C14 H14 Cl2 N2 O4 Zn -
Comments: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride Acta Crystallographica Section E 77(9) (2021) 880-886
Space group: C 1 c 1
Cell volume: 1607.5
Cell parameters: 7.0532; 21.3776; 11.1181; 90; 106.477; 90;

COD ID: 2244190

Formula: - C23 H25 Br2 N O2 -
Comments: Stapf, Manuel; Leibiger, Betty; Schwarzer, Anke; Mazik, Monika Crystal structures of 2-[3,5-bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione and 2-{5-(bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione Acta Crystallographica Section E 77(9) (2021) 919-923
Space group: P 1 21/n 1
Cell volume: 4338.4
Cell parameters: 13.367; 19.966; 16.919; 90; 106.099; 90;

COD ID: 2244191