Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica. Section E, Crystallographic communications' volume of publication is 80

COD ID: 2022959
CIF file

HKL data

Original IUCr paper

Formula: - B47.6 Li1.89 Mg1.11 -
Comments: Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr Synthesis, crystal structure and hydrogenation properties of Mg<sub><i>x</i></sub>Li<sub>3 - <i>x</i></sub>B<sub>48 - <i>y</i></sub> (<i>x</i> = 1.11, <i>y</i> = 0.40). Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 10-13
Space group: P 43 21 2
Cell volume: 1502.75
Cell parameters: 10.1905; 10.1905; 14.4709; 90; 90; 90;  

COD ID: 2022960
CIF file

HKL data

Original IUCr paper

Formula: - C26 H33 Cl4 N7 O4 Zn2 -
Comments: Tiwari, Laxmi; Waynant, Kristopher V. The synthesis and structural properties of a chlorido-bis-{<i>N</i>-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 14-17
Space group: P b c a
Cell volume: 6427.6
Cell parameters: 28.4313; 7.6516; 29.5461; 90; 90; 90;  

COD ID: 2022961
CIF file

Original IUCr paper

Formula: - C20 H16 N2 O2 -
Comments: Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1<i>H</i>-1,3-benzo-diazol-2-yl}phenol. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 18-21
Space group: P 1 21/n 1
Cell volume: 1589.79
Cell parameters: 10.6474; 13.2429; 11.4176; 90; 99.067; 90;  

COD ID: 2022962
CIF file

HKL data

Original IUCr paper

Formula: - C12 H12 Li2 O8 S2 -
Comments: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 22-24
Space group: P 1 21/c 1
Cell volume: 743.27
Cell parameters: 15.8584; 5.3693; 8.8636; 90; 99.994; 90;  

COD ID: 2022963
CIF file

HKL data

Original IUCr paper

Formula: - C23 H27 N3 O7 S -
Comments: Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of 2-[(5-amino-1-tosyl-1<i>H</i>-pyrazol-3-yl)-oxy]-1-(4-meth-oxy-phen-yl)ethan-1-one 1,4-dioxane monosolvate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 29-33
Space group: P -1
Cell volume: 1123.39
Cell parameters: 8.26968; 12.50096; 12.76743; 116.955; 104.842; 91.0281;  

COD ID: 2022964
CIF file

HKL data

Original IUCr paper

Formula: - C18 H32 Fe N14 O12 -
Comments: Plutenko, Maksym O.; Shylin, Sergii I.; Shova, Sergiu; Blinder, Aleksander V.; Fritsky, Igor O. Crystal structure of a water oxidation catalyst solvate with composition (NH<sub>4</sub>)<sub>2</sub>[Fe<sup>IV</sup>(<i>L</i>-6H)]·3CH<sub>3</sub>COOH (<i>L</i> = clathrochelate ligand). Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 25-28
Space group: C 1 2/c 1
Cell volume: 2736.7
Cell parameters: 15.5352; 11.5178; 16.0472; 90; 107.616; 90;  

COD ID: 2022965
CIF file

HKL data

Original IUCr paper

Formula: - C9 H21 Au Cl P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1341.21
Cell parameters: 8.05892; 11.1342; 15.0596; 90; 97.004; 90;  

COD ID: 2022966
CIF file

HKL data

Original IUCr paper

Formula: - C11 H25 Au Cl P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: C 1 2/c 1
Cell volume: 3039.3
Cell parameters: 26.953; 8.1226; 18.69; 90; 132.03; 90;  

COD ID: 2022967
CIF file

HKL data

Original IUCr paper

Formula: - C12 H27 Au Cl P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21 1
Cell volume: 801.87
Cell parameters: 8.45319; 10.904; 8.7166; 90; 93.583; 90;  

COD ID: 2022968
CIF file

HKL data

Original IUCr paper

Formula: - C9 H21 Au Cl P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1362.57
Cell parameters: 8.0938; 11.3088; 14.9798; 90; 96.403; 90;  

COD ID: 2022969
CIF file

HKL data

Original IUCr paper

Formula: - C10 H23 Au Cl P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1421.11
Cell parameters: 8.2215; 11.3519; 15.24; 90; 92.389; 90;  

COD ID: 2022970
CIF file

HKL data

Original IUCr paper

Formula: - C11 H25 Au Cl P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 1536.04
Cell parameters: 7.64505; 14.6437; 13.7211; 90; 90.4954; 90;  

COD ID: 2022971
CIF file

HKL data

Original IUCr paper

Formula: - C9 H21 Au Br P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1385.12
Cell parameters: 8.1898; 11.1421; 15.3064; 90; 97.394; 90;  

COD ID: 2022972
CIF file

HKL data

Original IUCr paper

Formula: - C11 H25 Au Br P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: C 1 2/c 1
Cell volume: 3114.5
Cell parameters: 27.3157; 8.16931; 18.8362; 90; 132.187; 90;  

COD ID: 2022973
CIF file

HKL data

Original IUCr paper

Formula: - C12 H27 Au Br P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 1653.64
Cell parameters: 8.3107; 13.482; 14.7591; 90; 90.424; 90;  

COD ID: 2022974
CIF file

HKL data

Original IUCr paper

Formula: - C9 H21 Au Br P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1405.94
Cell parameters: 8.225; 11.31793; 15.2065; 90; 96.6895; 90;  

COD ID: 2022975
CIF file

HKL data

Original IUCr paper

Formula: - C10 H23 Au Br P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 2952.51
Cell parameters: 11.5037; 15.244; 16.8366; 90; 90.053; 90;  

COD ID: 2022976
CIF file

HKL data

Original IUCr paper

Formula: - C11 H25 Au Br P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 1579.87
Cell parameters: 7.66804; 14.77026; 13.94963; 90; 90.4697; 90;  

COD ID: 2022977
CIF file

HKL data

Original IUCr paper

Formula: - C12 H27 Au Br P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 1664.12
Cell parameters: 8.29705; 13.6959; 14.6444; 90; 90.0892; 90;  

COD ID: 2022978
CIF file

HKL data

Original IUCr paper

Formula: - C10 H23 Au I P S -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/n 1
Cell volume: 1516.34
Cell parameters: 8.601; 15.0435; 11.7218; 90; 91.202; 90;  

COD ID: 2022979
CIF file

HKL data

Original IUCr paper

Formula: - C10 H23 Au I P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 1 21/c 1
Cell volume: 3075.17
Cell parameters: 11.70073; 15.4167; 17.048; 90; 89.6296; 90;  

COD ID: 2022980
CIF file

HKL data

Original IUCr paper

Formula: - C11 H25 Au I P Se -
Comments: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 34-49
Space group: P 43 21 2
Cell volume: 3294.88
Cell parameters: 10.7755; 10.7755; 28.3769; 90; 90; 90;  

COD ID: 2022981
CIF file

HKL data

Formula: - C33 H43 Cl2 N3 O Ru -
Comments: Mammadova, Gunay Z.; Atioğlu, Zeliha; Akkurt, Mehmet; Grigoriev, Mikhail S.; Volchkov, Nikita S.; Azizova, Asmet N.; Bhattarai, Ajaya; Antonova, Alexandra S. Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 50-53
Space group: P 1 21/n 1
Cell volume: 3150.6
Cell parameters: 13.6801; 10.7078; 22.035; 90; 102.553; 90;  

COD ID: 2022982
CIF file

HKL data

Original IUCr paper

Formula: - C25 H25 N O7 S -
Comments: Guliyeva, Narmina A.; Burkin, Gleb M.; Annadurdyyeva, Selbi; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of dimethyl 4-hy-droxy-5,4'-dimethyl-2'-(toluene-4-sulfonyl-amino)-biphenyl-2,3-di-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 62-66
Space group: P 1 21/c 1
Cell volume: 2372.88
Cell parameters: 12.52978; 18.87277; 10.63916; 90; 109.409; 90;  

COD ID: 2022983
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 N2 S -
Comments: Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 72-77
Space group: P 43
Cell volume: 3203.27
Cell parameters: 7.74413; 7.74413; 53.4131; 90; 90; 90;  

COD ID: 2022984
CIF file

HKL data

Original IUCr paper

Formula: - C8 H7 Co N3 O S2 -
Comments: Näther, Christian; Jess, Inke Synthesis, crystal structure and properties of poly[(μ-2-methyl-pyridine <i>N</i>-oxide-κ<sup>2</sup><i>O</i>:<i>O</i>)bis-(μ-thio-cyanato-κ<sup>2</sup><i>N</i>:<i>S</i>)cobalt(II)]. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 67-71
Space group: P 1 21/c 1
Cell volume: 1100.89
Cell parameters: 7.67386; 7.66462; 18.8755; 90; 97.4258; 90;  

COD ID: 2022985
CIF file

HKL data

Original IUCr paper

Formula: - C18 H22 O7 -
Comments: Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of dieth-yl (3a<i>S</i>,3<i>a</i>1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,9a<i>S</i>)-3a1,5,6,6a-tetra-hydro-1<i>H</i>,3<i>H</i>,4<i>H</i>,7<i>H</i>-3a,6:7,9a-di-epoxy-benzo[<i>de</i>]isochromene-4,5-di-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 83-87
Space group: P 1 21/c 1
Cell volume: 1652.27
Cell parameters: 7.1566; 14.1907; 16.2737; 90; 91.329; 90;  

COD ID: 2022986
CIF file

HKL data

Original IUCr paper

Formula: - C7 H10 Cl N O -
Comments: Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R. Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 58-61
Space group: P b c a
Cell volume: 1625.96
Cell parameters: 8.8689; 8.4361; 21.7319; 90; 90; 90;  

COD ID: 2022987
CIF file

HKL data

Original IUCr paper

Formula: - C7 H10 Cl N O -
Comments: Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R. Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 58-61
Space group: P 1 21/c 1
Cell volume: 1594.58
Cell parameters: 8.3039; 21.6993; 8.8495; 90; 90.077; 90;  

COD ID: 2022988
CIF file

HKL data

Original IUCr paper

Formula: - C5 H11 F6 N2 O P -
Comments: Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 88-93
Space group: P b c a
Cell volume: 1932.83
Cell parameters: 10.4638; 13.4495; 13.734; 90; 90; 90;  

COD ID: 2022989
CIF file

HKL data

Formula: - C5 H11 F6 N2 O P -
Comments: Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 88-93
Space group: P c a 21
Cell volume: 1923.1
Cell parameters: 10.4504; 13.717; 13.4157; 90; 90; 90;  

COD ID: 2022990
CIF file

HKL data

Formula: - C5 H11 F6 N2 P -
Comments: Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 88-93
Space group: C 1 c 1
Cell volume: 1871.38
Cell parameters: 12.3588; 12.7942; 12.2759; 90; 105.4; 90;  

COD ID: 2022991
CIF file

HKL data

Original IUCr paper

Formula: - C18 H30 Li N O3 -
Comments: Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 78-82
Space group: P 1 21/n 1
Cell volume: 1832.8
Cell parameters: 9.267; 13.178; 15.053; 90; 94.437; 90;  

COD ID: 2022992
CIF file

HKL data

Original IUCr paper

Formula: - C8 H12 Cu N6 O6 -
Comments: Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D. Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1<i>H</i>-1,2,4-triazole-3-carboxyl-ato)copper(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 54-57
Space group: P -1
Cell volume: 309.8
Cell parameters: 6.8465; 7.1097; 7.209; 79.267; 83.193; 64.076;  

COD ID: 2022994
CIF file

HKL data

Original IUCr paper

Formula: - C72 H48 Cu2 O10 S2 -
Comments: Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 1-9
Space group: P -1
Cell volume: 1390.69
Cell parameters: 10.5283; 11.8583; 11.9401; 101.044; 98.136; 104.142;  

COD ID: 2022995
CIF file

HKL data

Formula: - C74 H50 Cu2 N2 O10 -
Comments: Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization. Acta crystallographica. Section E, Crystallographic communications 80(Pt 1) (2024) 1-9
Space group: P 1 21/n 1
Cell volume: 2877.26
Cell parameters: 10.54266; 21.8888; 12.66517; 90; 100.116; 90;  

COD ID: 2022998
CIF file

HKL data

Original IUCr paper

Formula: - C10 H11 N5 O2 S2 -
Comments: Mohamed-Ezzat, Reham A; Elgemeie, Galal H.; Jones, Peter G. An unexpected tautomer: synthesis and crystal structure of <i>N</i>-[6-amino-4-(methyl-sulfan-yl)-1,2-di-hydro-1,3,5-triazin-2-yl-idene]benzenesulfonamide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 120-124
Space group: P 1 21/n 1
Cell volume: 1284.03
Cell parameters: 5.44832; 9.03714; 26.1141; 90; 92.9914; 90;  

COD ID: 2022999
CIF file

HKL data

Original IUCr paper

Formula: - C26 H30 Cd N5 O9.5 -
Comments: Popovych, Anastasiia M.; Tsymbal, Liudmyla V.; Khomenko, Dmytro M.; Bargan, Alexandra; Lampeka, Yaroslaw D.; Lampeka, Rostislav D. Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1<i>H</i>-1,2,4-triazole-3,5-di-yl)dibenzoate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 128-132
Space group: P -1
Cell volume: 1455.89
Cell parameters: 8.1674; 12.3033; 15.4877; 75.226; 86.412; 75.346;  

COD ID: 2023000
CIF file

HKL data

Original IUCr paper

Formula: - C9 H9 N3 O2 S -
Comments: Mesto, Ernesto; Okio, Coco K. Y. A.; Lemus, Maria Alejandra; Schingaro, Emanuela {[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methyl-idene]amino}thio-urea. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 125-127
Space group: P 1 21/c 1
Cell volume: 1003.55
Cell parameters: 7.1189; 10.9687; 13.0678; 90; 100.426; 90;  

COD ID: 2023001
CIF file

HKL data

Original IUCr paper

Formula: - C13 H15 N5 O4 -
Comments: Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-di-methylformamide monosolvate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 110-116
Space group: P -1
Cell volume: 1497.6
Cell parameters: 7.9481; 12.8523; 14.8737; 96.651; 96.96; 90.548;  

COD ID: 2023002
CIF file

HKL data

Original IUCr paper

Formula: - Gd K2 Mo O8 P -
Comments: Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola Crystal structure of a layered phosphate molybdate K<sub>2</sub>Gd(PO<sub>4</sub>)(MoO<sub>4</sub>). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 117-119
Space group: I b c a
Cell volume: 1678.35
Cell parameters: 6.9527; 19.7112; 12.2466; 90; 90; 90;  

COD ID: 2023003
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 O4 -
Comments: Kenfack Tsobnang, Patrice; Ziki, Eric; Siaka, Soso; Yoda, Jules; Kamal, Seham; Bouraima, Adam; Djifa Hounsi, Ayi; Wenger, Emmanuel; Bendeif, El-Eulmi; Lecomte, Claude Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2<i>H</i>-chromen-6-yl 4-<i>tert</i>-butyl-benzoate: work carried out as part of the AFRAMED project. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 106-109
Space group: C 1 2/c 1
Cell volume: 3222.4
Cell parameters: 35.908; 6.8473; 13.2661; 90; 98.915; 90;  

COD ID: 2023004
CIF file

Original IUCr paper

Formula: - C18 H22 Br6 Cu4 N4 O2 -
Comments: Traoré, Bocar; Diouf, Ngoné; Kébé, Momath; Guéye-Sylla, Rokhaya; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)]. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 133-136
Space group: P 1 21/c 1
Cell volume: 2762.1
Cell parameters: 23.1656; 7.7041; 16.5664; 90; 110.896; 90;  

COD ID: 2023005
CIF file

HKL data

Original IUCr paper

Formula: - C12 H14 Br2 Co N2 O2 -
Comments: Näther, Christian; Jess, Inke Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 152-156
Space group: P 21 21 21
Cell volume: 1512.43
Cell parameters: 7.6106; 7.8024; 25.4699; 90; 90; 90;  

COD ID: 2023006
CIF file

HKL data

Original IUCr paper

Formula: - C16 H11 F N2 O -
Comments: Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 137-142
Space group: P c a 21
Cell volume: 1232.8
Cell parameters: 23.612; 7.2392; 7.2122; 90; 90; 90;  

COD ID: 2023007
CIF file

HKL data

Original IUCr paper

Formula: - C16 H24 B F3 O5 S Si -
Comments: Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T. Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 143-147
Space group: P n a 21
Cell volume: 2041.8
Cell parameters: 10.4316; 25.1732; 7.7756; 90; 90; 90;  

COD ID: 2023008
CIF file

HKL data

Original IUCr paper

Formula: - C16 H24 B F3 O5 S Si -
Comments: Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T. Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 143-147
Space group: C 1 2/c 1
Cell volume: 4329.2
Cell parameters: 28.334; 11.8449; 12.9139; 90; 92.723; 90;  

COD ID: 2023009
CIF file

HKL data

Original IUCr paper

Formula: - C17 H26 B F3 O5 S Si -
Comments: Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T. Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 143-147
Space group: P 1 21/n 1
Cell volume: 4392.1
Cell parameters: 10.2407; 12.6295; 34.127; 90; 95.689; 90;  

COD ID: 2023010
CIF file

HKL data

Original IUCr paper

Formula: - C4 H10 N4 O2 -
Comments: Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D. Synthesis and crystal structure of <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 148-151
Space group: P 21 21 21
Cell volume: 728.84
Cell parameters: 6.0356; 7.6501; 15.7851; 90; 90; 90;  

COD ID: 2023011
CIF file

HKL data

Original IUCr paper

Formula: - C28 H36 Au N3 O -
Comments: Bakhoda, Abolghasem Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κ<i>N</i>)gold(I). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 166-168
Space group: P 21 21 21
Cell volume: 2707
Cell parameters: 10.3941; 11.154; 23.3489; 90; 90; 90;  

COD ID: 2023012
CIF file

HKL data

Original IUCr paper

Formula: - C12 H26 Au Cl N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five gold(I) complexes with methyl-piperidine ligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 157-165
Space group: P 1 21/n 1
Cell volume: 1466.58
Cell parameters: 6.4068; 25.2542; 9.3395; 90; 103.946; 90;  

COD ID: 2023013
CIF file

HKL data

Original IUCr paper

Formula: - C12 H26 Au2 Cl2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five gold(I) complexes with methyl-piperidine ligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 157-165
Space group: P -1
Cell volume: 844.89
Cell parameters: 9.6998; 9.7001; 10.7194; 102.218; 101.893; 114.695;  

COD ID: 2023014
CIF file

HKL data

Original IUCr paper

Formula: - C12 H26 Au2 Br2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five gold(I) complexes with methyl-piperidine ligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 157-165
Space group: P -1
Cell volume: 868.58
Cell parameters: 9.8461; 9.7728; 10.9461; 100.136; 103.685; 116.287;  

COD ID: 2023015
CIF file

HKL data

Original IUCr paper

Formula: - C19 H41 Au2 Cl4 N3 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five gold(I) complexes with methyl-piperidine ligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 157-165
Space group: P 1 21/c 1
Cell volume: 5413.7
Cell parameters: 20.5785; 16.0876; 18.2247; 90; 116.196; 90;  

COD ID: 2023016
CIF file

HKL data

Original IUCr paper

Formula: - C12 H26 Au Cl N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five gold(I) complexes with methyl-piperidine ligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 157-165
Space group: C 1 2/c 1
Cell volume: 3018.8
Cell parameters: 17.6978; 11.2748; 16.562; 90; 114.013; 90;  

COD ID: 2023018
CIF file

HKL data

Original IUCr paper

Formula: - C23 H19 N O16 Pr2 -
Comments: Yotnoi, Bunlawee; Rujiwatra, Apinpus Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 228-231
Space group: I 1 2/a 1
Cell volume: 5224.32
Cell parameters: 27.4898; 5.9436; 32.0473; 90; 93.854; 90;  

COD ID: 2023019
CIF file

HKL data

Original IUCr paper

Formula: - C16 H17 N3 O3 -
Comments: Ait Elmachkouri, Younesse; Irrou, Ezaddine; El Monfalouti, Hanae; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1<i>H</i>-pyrazol-4-yl)-3-phen-yl-propano-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 240-246
Space group: P -1
Cell volume: 764.75
Cell parameters: 9.1397; 9.4879; 10.0063; 79.554; 63.787; 83.054;  

COD ID: 2023020
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 Cl N2 O -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dukhnovsky, Evgeny A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 223-227
Space group: P 1 21/c 1
Cell volume: 759.36
Cell parameters: 9.842; 6.9145; 11.1807; 90; 93.618; 90;  

COD ID: 2023021
CIF file

HKL data

Original IUCr paper

Formula: - C16 H13 N O2 -
Comments: Rharmili, Nohaila; Abdellaoui, Omar; Ouazzani Chahdi, Fouad; Mague, Joel T.; Hökelek, Tuncer; Mazzah, Ahmed; Kandri Rodi, Youssef; Sebbar, Nada Kheira Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl-benz-yl)in-do-line-2,3-dione. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 232-239
Space group: P 1 21/c 1
Cell volume: 1249.73
Cell parameters: 6.6126; 4.868; 38.924; 90; 94.118; 90;  

COD ID: 2023022
CIF file

HKL data

Original IUCr paper

Formula: - C36 H34 Cl Fe2 N3 O -
Comments: Sghyar, Riham; Bentama, Abdeslem; Haoudi, Amal; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; El Hadrami, El Mestafa; Sebbar, Nada Kheira Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-<i>N</i>-{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 262-266
Space group: P -1
Cell volume: 1536
Cell parameters: 8.0175; 11.3134; 17.408; 95.099; 99.963; 96.414;  

COD ID: 2023023
CIF file

HKL data

Original IUCr paper

Formula: - C10 H6 N2 O4 -
Comments: Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover Crystal structure, Hirshfeld surface analysis and DFT study of <i>N</i>-(2-nitro-phen-yl)male-imide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 256-261
Space group: P 1 21/n 1
Cell volume: 1953.7
Cell parameters: 14.331; 7.769; 17.558; 90; 91.969; 90;  

COD ID: 2023024
CIF file

HKL data

Original IUCr paper

Formula: - C6 H14 Br2 Cd N2 O -
Comments: Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S. [4-(2-Aminoethyl)morpholine-κ<sup>2</sup><i>N</i>,<i>N</i>']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 271-276
Space group: P -1
Cell volume: 520.49
Cell parameters: 7.1291; 7.1662; 11.0151; 77.704; 80.079; 72.371;  

COD ID: 2023025
CIF file

HKL data

Original IUCr paper

Formula: - C21 H23 F2 N O4 -
Comments: Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 281-288
Space group: C 1 2/c 1
Cell volume: 3919.8
Cell parameters: 19.705; 15.389; 14.1279; 90; 113.801; 90;  

COD ID: 2023026
CIF file

HKL data

Original IUCr paper

Formula: - C23 H27 F2 N O4 -
Comments: Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 281-288
Space group: P b c a
Cell volume: 4212.6
Cell parameters: 12.255; 15.694; 21.903; 90; 90; 90;  

COD ID: 2023027
CIF file

HKL data

Original IUCr paper

Formula: - C24 H29 F2 N O4 -
Comments: Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 281-288
Space group: P b c a
Cell volume: 4357.2
Cell parameters: 12.4094; 15.9871; 21.9629; 90; 90; 90;  

COD ID: 2023028
CIF file

HKL data

Original IUCr paper

Formula: - C16 H22 N5 O5 V -
Comments: Mondal, Bipul Crystal structure of di-ethyl-ammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 277-280
Space group: P -1
Cell volume: 937.5
Cell parameters: 7.685; 9.4135; 13.9147; 105.609; 101.103; 96.253;  

COD ID: 2023029
CIF file

HKL data

Original IUCr paper

Formula: - C32 H28 Na O12 Sm -
Comments: Hastings, Ashley M.; Williams, Ashley; Surbella Iii, Robert G.; Hixon, Amy E.; Arteaga, Ana Structural characterization of a new samarium-sodium heterometallic coordination polymer. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 267-270
Space group: P 1 21/c 1
Cell volume: 3268.9
Cell parameters: 11.5512; 24.4768; 12.8355; 90; 115.742; 90;  

COD ID: 2023030
CIF file

HKL data

Original IUCr paper

Formula: - C9 H11 Cl N2 Se -
Comments: Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G. Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 247-251
Space group: P 1 21/c 1
Cell volume: 4194
Cell parameters: 9.054; 15.015; 30.93; 90; 94.1; 90;  

COD ID: 2023031
CIF file

HKL data

Original IUCr paper

Formula: - C18 H24 N Na O9 S -
Comments: Bereziuk, Olha; Gubina, Kateryna; Trush, Viktor; Ovchynnikov, Vladimir Crystal structure of the sodium salt of mesotrione: a triketone herbicide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 296-299
Space group: P -1
Cell volume: 1064.45
Cell parameters: 9.9014; 10.7214; 11.9401; 69.789; 71.074; 66.439;  

COD ID: 2023032
CIF file

HKL data

Original IUCr paper

Formula: - C12 H11 N3 O S -
Comments: Elboshi, Heba A.; Azzam, Rasha A.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of 4-(benzo[<i>d</i>]thia-zol-2-yl)-1,2-dimethyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 289-291
Space group: P 1 21/c 1
Cell volume: 1116.08
Cell parameters: 8.78308; 11.66215; 11.00169; 90; 97.946; 90;  

COD ID: 2023033
CIF file

Original IUCr paper

Formula: - C29 H40 N4 O8.961 -
Comments: Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N. Omadacycline dihydrate, C<sub>29</sub>H<sub>40</sub>N<sub>4</sub>O<sub>7</sub>·2H<sub>2</sub>O, from X-ray powder diffraction data. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 292-295
Space group: R 3 :H
Cell volume: 7468.81
Cell parameters: 24.3443; 24.3443; 14.55212; 90; 90; 120;  

COD ID: 2023034
CIF file

HKL data

Original IUCr paper

Formula: - C31 H24 N4 O2 -
Comments: Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 300-304
Space group: P -1
Cell volume: 1195
Cell parameters: 8.8038; 10.2277; 14.0937; 90.262; 96.63; 108.395;  

COD ID: 2023035
CIF file

HKL data

Original IUCr paper

Formula: - C21 H31 N3 O5 S -
Comments: Rybczyńska, Małgorzata; Sikorski, Artur Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 314-317
Space group: P 1 21/c 1
Cell volume: 2330
Cell parameters: 11.0276; 10.7661; 19.635; 90; 91.792; 90;  

COD ID: 2023036
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 N4 O2 -
Comments: Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V. Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3<i>H</i>-indole 1-oxide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 310-313
Space group: P -1
Cell volume: 579.9
Cell parameters: 7.166; 7.686; 12.172; 95.473; 105.226; 113.116;  

COD ID: 2023037
CIF file

HKL data

Original IUCr paper

Formula: - C21 H15 N5 O S2 -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Mamedov, Huseyn M.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanyl-idene-5-(thio-phen-2-yl)-3,4,7,8,9,10-hexa-hydro-2<i>H</i>-pyrido[1,6-<i>a</i>:2,3-<i>d</i>']di-pyrimidine-6-carbo-nitrile. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 325-329
Space group: P 1 21/n 1
Cell volume: 1854.58
Cell parameters: 5.63465; 18.02763; 18.40115; 90; 97.1649; 90;  

COD ID: 2023038
CIF file

HKL data

Original IUCr paper

Formula: - C26.5 H18 F10 N2 O4.5 Si -
Comments: Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T. Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV). Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 318-324
Space group: P 1 21/n 1
Cell volume: 2623.3
Cell parameters: 12.6809; 12.1217; 17.7335; 90; 105.767; 90;  

COD ID: 2023039
CIF file

HKL data

Original IUCr paper

Formula: - C24 H22 N2 O4 Si -
Comments: Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T. Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV). Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 318-324
Space group: P -1
Cell volume: 1022.45
Cell parameters: 8.5662; 8.8343; 14.7801; 93.057; 105.372; 106.757;  

COD ID: 2023040
CIF file

HKL data

Original IUCr paper

Formula: - C28 H30 N2 O4 Si -
Comments: Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T. Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV). Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 318-324
Space group: P 21 21 21
Cell volume: 2449.8
Cell parameters: 12.571; 12.68898; 15.358; 90; 90; 90;  

COD ID: 2023041
CIF file

HKL data

Original IUCr paper

Formula: - C28 H46 F3 N3 O7 S2 Si -
Comments: Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E. Crystal structures of sulfonamide protected bicyclic guanidines: (<i>S</i>)-8-{[(<i>tert</i>-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (<i>S</i>)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 305-309
Space group: P 1 21 1
Cell volume: 1691.75
Cell parameters: 8.5784; 14.4797; 13.6961; 90; 96.052; 90;  

COD ID: 2023042
CIF file

HKL data

Original IUCr paper

Formula: - C15 H21 I2 N3 O2 S -
Comments: Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E. Crystal structures of sulfonamide protected bicyclic guanidines: (<i>S</i>)-8-{[(<i>tert</i>-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (<i>S</i>)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 305-309
Space group: P 21 21 21
Cell volume: 1888.4
Cell parameters: 6.6117; 10.1482; 28.1444; 90; 90; 90;  

COD ID: 2023043
CIF file

HKL data

Original IUCr paper

Formula: - C14 H16 Cu N2 O6 -
Comments: Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V. Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 330-334
Space group: P 1 2/c 1
Cell volume: 737.3
Cell parameters: 6.9143; 6.2111; 17.169; 90; 90.05; 90;  

COD ID: 2023044
CIF file

Original IUCr paper

Formula: - C56 H80 Cu2 O14 S2 -
Comments: Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K. Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)]. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 335-338
Space group: P -1
Cell volume: 1475.6
Cell parameters: 10.299; 11.734; 12.846; 87.275; 88.918; 72.096;  

COD ID: 2023045
CIF file

Original IUCr paper

Formula: - C25 H18 N4 -
Comments: Bader, Mamoun M.; Pham, Phuong-Truc Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 339-342
Space group: P b c a
Cell volume: 4066.8
Cell parameters: 16.8662; 12.8555; 18.7561; 90; 90; 90;  

COD ID: 2023046
CIF file

Original IUCr paper

Formula: - C12 H25 Cl3 N4 O2 Zn -
Comments: Hubin, Daniel J.; Cunningham, Blue M.; Hubin, Timothy J.; Ebel, Jonathan P.; Krause, Jeanette A.; Oliver, Allen G. The unanti-cipated oxidation of a tertiary amine in a tetra-cyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 343-346
Space group: P 1 21/n 1
Cell volume: 1703.5
Cell parameters: 8.7253; 14.3482; 14.0718; 90; 104.76; 90;  

COD ID: 2023047
CIF file

Original IUCr paper

Formula: - C14 H12 N2 O4 -
Comments: Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 347-350
Space group: P 1 21/m 1
Cell volume: 624.31
Cell parameters: 8.7649; 6.8899; 10.6868; 90; 104.676; 90;  

COD ID: 2023048
CIF file

Original IUCr paper

Formula: - C28 H29 Cl N8 O6 -
Comments: Gautam, Ram N.; Sonkar, Sankatha P.; Yadav, Shailendra; Nath, Paras; Bharty, Manoj K. Co<sup>II</sup>-catalysed synthesis of <i>N</i>-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 351-354
Space group: C 1 2/c 1
Cell volume: 2852.54
Cell parameters: 20.5406; 13.7457; 10.565; 90; 107.006; 90;  

COD ID: 2023049
CIF file

Original IUCr paper

Formula: - C40 H44 Cl12 Lu N4 O16 P5 -
Comments: Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M. Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh<sub>4</sub>[Lu<i>L</i><sub>4</sub>]. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 370-374
Space group: P 1 21/c 1
Cell volume: 6001.8
Cell parameters: 19.6882; 18.9452; 17.2139; 90; 110.811; 90;  

COD ID: 2023050
CIF file

Original IUCr paper

Formula: - C9 H21 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 774.12
Cell parameters: 8.0262; 9.0839; 10.7162; 86.185; 85.73; 84.468;  

COD ID: 2023051
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P 1 21/n 1
Cell volume: 1650.42
Cell parameters: 8.4533; 17.0563; 11.4826; 90; 94.525; 90;  

COD ID: 2023052
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P 1 21/n 1
Cell volume: 1632.85
Cell parameters: 7.9363; 14.4096; 14.2851; 90; 91.774; 90;  

COD ID: 2023053
CIF file

Original IUCr paper

Formula: - C11 H25 Au Cl3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 864.7
Cell parameters: 8.6034; 9.7779; 11.4231; 78.876; 71.456; 72.702;  

COD ID: 2023054
CIF file

Original IUCr paper

Formula: - C12 H25 Au Cl6 D P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 1053.13
Cell parameters: 9.6382; 10.2787; 11.8483; 75.115; 68.875; 89.728;  

COD ID: 2023055
CIF file

Original IUCr paper

Formula: - C13 H29 Au Cl5 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 1074.95
Cell parameters: 8.4202; 11.2194; 11.8355; 98.398; 101.174; 95.991;  

COD ID: 2023056
CIF file

Original IUCr paper

Formula: - C10 H23 Au Cl3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P 1 21/n 1
Cell volume: 1656.54
Cell parameters: 7.92516; 14.5559; 14.3635; 90; 91.264; 90;  

COD ID: 2023057
CIF file

Original IUCr paper

Formula: - C11 H25 Au Cl3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 875.78
Cell parameters: 8.5878; 9.8435; 11.5022; 78.391; 71.168; 73.463;  

COD ID: 2023058
CIF file

Original IUCr paper

Formula: - C12 H25 Au Cl6 D P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 1066.3
Cell parameters: 8.5343; 9.7185; 14.0759; 74.398; 78.121; 73.257;  

COD ID: 2023059
CIF file

Original IUCr paper

Formula: - C9 H21 Au Br3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P 1 21/c 1
Cell volume: 1629.56
Cell parameters: 9.1341; 7.9039; 22.642; 90; 94.519; 90;  

COD ID: 2023060
CIF file

Original IUCr paper

Formula: - C11 H25 Au Br3 P S -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 890.37
Cell parameters: 8.6067; 10.1161; 11.5123; 77.873; 70.257; 71.867;  

COD ID: 2023061
CIF file

Original IUCr paper

Formula: - C9 H21 Au Br3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 813.34
Cell parameters: 8.3928; 10.1417; 10.7567; 94.419; 105.612; 110.113;  

COD ID: 2023062
CIF file

Original IUCr paper

Formula: - C11 H25 Au Br3 P Se -
Comments: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 355-369
Space group: P -1
Cell volume: 904.02
Cell parameters: 8.6; 10.2045; 11.5987; 77.475; 69.764; 72.601;  

COD ID: 2023063
CIF file

Original IUCr paper

Formula: - C13 H13 Cl F N O4 -
Comments: Li, Victor; Yap, Glenn P. A.; Ni, Chaoying Crystal structure of (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 375-377
Space group: P 1 21 1
Cell volume: 665.31
Cell parameters: 7.8729; 5.5655; 15.492; 90; 101.446; 90;  

COD ID: 2023064
CIF file

Original IUCr paper

Formula: - C17 H15 N5 -
Comments: Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dobrokhotova, Ekaterina V.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbo-nitrile. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 378-382
Space group: P 1 21/c 1
Cell volume: 1431.23
Cell parameters: 6.2459; 14.148; 16.2111; 90; 92.435; 90;  

COD ID: 2023065
CIF file

Original IUCr paper

Formula: - C17 H12 N2 O -
Comments: Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 383-387
Space group: P -1
Cell volume: 653.39
Cell parameters: 8.4614; 9.0947; 9.536; 87.739; 72.963; 69.028;  

COD ID: 2023066
CIF file

Original IUCr paper

Formula: - C21 H23 N3 O3 -
Comments: Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 423-429
Space group: P 21 21 21
Cell volume: 1862.52
Cell parameters: 8.444; 14.3013; 15.4233; 90; 90; 90;  

COD ID: 2023067
CIF file Formula: - C9 H9 Li O5 -
Comments: Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 401-407
Space group: P 1 21/n 1
Cell volume: 900.2
Cell parameters: 8.3083; 4.8511; 22.587; 90; 98.572; 90;  

COD ID: 2023068
CIF file Formula: - C9 H9 Na O5 -
Comments: Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 401-407
Space group: P -1
Cell volume: 458.65
Cell parameters: 6.3289; 6.8126; 11.253; 75.05; 86.39; 78.09;  

COD ID: 2023069
CIF file

Original IUCr paper

Formula: - C20 H28 Br2 Cu N12 S8 -
Comments: Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ<i>N</i><sup>3</sup>]copper(II) bromide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 408-412
Space group: P 4/n :2
Cell volume: 1830.24
Cell parameters: 12.69368; 12.69368; 11.35879; 90; 90; 90;  

COD ID: 2023070
CIF file

Original IUCr paper

Formula: - C25 H31 N5 O6 -
Comments: Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G. Crystal structure of 2,4-di-amino-5-(4-hy-droxy-3-meth-oxy-phen-yl)-8,8-dimethyl-6-oxo-6,7,8,9-tetra-hydro-5<i>H</i>-chromeno[2,3-<i>b</i>]pyridine-3-carbo-nitrile-di-methyl-formamide-water (1/1/1). Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 396-400
Space group: P 1 21/n 1
Cell volume: 2499.98
Cell parameters: 9.9055; 15.96; 16.4794; 90; 106.344; 90;  

COD ID: 2023071
CIF file

Original IUCr paper

Formula: - C18 H18 O12 -
Comments: Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 413-417
Space group: I 41 c d
Cell volume: 3734.7
Cell parameters: 24.069; 24.069; 6.4468; 90; 90; 90;  

COD ID: 2023072
CIF file

Original IUCr paper

Formula: - C8 H7 N O2 -
Comments: Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 388-391
Space group: P -1
Cell volume: 352.58
Cell parameters: 6.6279; 7.3272; 8.2308; 67.271; 83.403; 73.006;  

COD ID: 2023073
CIF file

Original IUCr paper

Formula: - C13 H13 Cl N2 O3 -
Comments: Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 430-434
Space group: P c a 21
Cell volume: 1280.63
Cell parameters: 22.8042; 4.7826; 11.7421; 90; 90; 90;  

COD ID: 2023074
CIF file

Original IUCr paper

Formula: - C64 H62 N4 O9 S2 -
Comments: Burkin, Gleb M.; Kvyatkovskaya, Elizaveta A.; Khrustalev, Victor N.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1<i>H</i>-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 418-422
Space group: P -1
Cell volume: 1375.62
Cell parameters: 10.7108; 11.7817; 12.9233; 73.831; 67.667; 67.38;  

COD ID: 2023075
CIF file

Original IUCr paper

Formula: - C14 H13 N O S -
Comments: Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Elgemeie, Galal H. Synthesis and crystal structure of <i>N</i>-phenyl-2-(phenyl-sulfan-yl)acetamide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 392-395
Space group: P -1
Cell volume: 1219.72
Cell parameters: 5.6768; 12.0747; 18.1912; 87.071; 82.11; 81.11;  

COD ID: 2023077
CIF file

Original IUCr paper

Formula: - C22 H18 N2 O12 -
Comments: Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate). Acta crystallographica. Section E, Crystallographic communications 80(Pt 4) (2024) 435-438
Space group: P -1
Cell volume: 534.25
Cell parameters: 5.9454; 7.9543; 12.0673; 72.124; 79.661; 86.052;  

COD ID: 2023152
CIF file

Original IUCr paper

Formula: - C14 H14 B F4 N2 O4.5 -
Comments: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 695-698
Space group: P 1 21/n 1
Cell volume: 1613.5
Cell parameters: 7.6794; 20.987; 10.0514; 90; 95.123; 90;  

COD ID: 2023153
CIF file

Original IUCr paper

Formula: - C14 H20 N2 O8 -
Comments: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 695-698
Space group: P 1 21/n 1
Cell volume: 784.07
Cell parameters: 6.2521; 11.4122; 11.1413; 90; 99.4832; 90;  

COD ID: 2023154
CIF file

Original IUCr paper

Formula: - C17 H12 N2 O S2 -
Comments: Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J. Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-ones. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 699-703
Space group: P 1 21/n 1
Cell volume: 3043.52
Cell parameters: 9.22549; 20.8037; 15.87594; 90; 92.7309; 90;  

COD ID: 2023155
CIF file Formula: - C21 H15.438 N3 O1.44 S -
Comments: Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J. Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-ones. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 699-703
Space group: C 1 2/c 1
Cell volume: 8290.9
Cell parameters: 28.2424; 11.0307; 28.6936; 90; 111.952; 90;  

COD ID: 2023156
CIF file

Original IUCr paper

Formula: - C26 H28 Co N6 O4 Se2 -
Comments: Näther, Christian; Jess, Inke Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 704-708
Space group: P 1 21/n 1
Cell volume: 5805.82
Cell parameters: 9.3825; 39.9164; 15.992; 90; 104.217; 90;  

COD ID: 2023157
CIF file

Original IUCr paper

Formula: - C20 H21 Co N5 O3 Se2 -
Comments: Näther, Christian; Jess, Inke Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 704-708
Space group: C 1 c 1
Cell volume: 2248.56
Cell parameters: 12.07686; 26.47661; 7.25623; 90; 104.276; 90;  

COD ID: 2023158
CIF file

Original IUCr paper

Formula: - C12 H14 Cl4 Co N2 -
Comments: Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 709-712
Space group: P -1
Cell volume: 777.3
Cell parameters: 6.6419; 7.6512; 15.837; 99.458; 98.02; 97.046;  

COD ID: 2023159
CIF file

Original IUCr paper

Formula: - C36 H42 Co N9 O9 S3 -
Comments: Roecker, Lee; Parkin, Sean Crystal structure of tris-{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 713-716
Space group: P -3
Cell volume: 2203.76
Cell parameters: 16.6906; 16.6906; 9.1346; 90; 90; 120;  

COD ID: 2023160
CIF file

Original IUCr paper

Formula: - C33 H10 F12 Hg3 O2 -
Comments: Novikov, Egor M.; Castañeda, Raúl; Fonari, Marina S.; Timofeeva, Tatiana V. A 1:1 flavone cocrystal with cyclic trimeric perfluoro-<i>o</i>-phenyl-enemercury. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 717-720
Space group: P 1 21/n 1
Cell volume: 3021.5
Cell parameters: 12.4181; 13.8092; 17.6498; 90; 93.36; 90;  

COD ID: 2023161
CIF file

Original IUCr paper

Formula: - C7 H14 N2 O3 S -
Comments: Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O. Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 725-728
Space group: P 1 21 1
Cell volume: 500.24
Cell parameters: 6.2517; 5.4935; 14.5686; 90; 91.147; 90;  

COD ID: 2023162
CIF file

Original IUCr paper

Formula: - C7 H14 N2 O3 S -
Comments: Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O. Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 725-728
Space group: P 21 21 21
Cell volume: 991.43
Cell parameters: 5.2521; 11.4126; 16.5403; 90; 90; 90;  

COD ID: 2023163
CIF file

Original IUCr paper

Formula: - Cl30 Cs36 O160 P4 Tl2 W48 -
Comments: Deblonde, Gauthier; Colliard, Ian Crystal structure of hexa-chloro-thallate within a caesium chloride-phospho-tungstate lattice Cs<sub>9</sub>(TlCl<sub>6</sub>)(PW<sub>12</sub>O<sub>40</sub>)<sub>2</sub>·9CsCl. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 721-724
Space group: F m -3 m
Cell volume: 12161.1
Cell parameters: 22.9963; 22.9963; 22.9963; 90; 90; 90;  

COD ID: 2023164
CIF file

Original IUCr paper

Formula: - C20 H22 N3 O5 Re S -
Comments: Kaluthanthiri, Dinithi; Perera, Theshini; Fronczek, Frank R. Synthesis, spectroscopic analysis and crystal structure of (<i>N</i>-{2-[(2-amino-eth-yl)amino]-eth-yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri-carb-on-ylrhenium(I). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 742-745
Space group: P 1 21/c 1
Cell volume: 2192.8
Cell parameters: 18.5651; 7.6604; 15.4897; 90; 95.472; 90;  

COD ID: 2023165
CIF file

Original IUCr paper

Formula: - C14 H16 N6 O6 V2 -
Comments: Jabborova, Kholida; Ashurov, Jamshid; Tojiboev, Akmaljon; Daminova, Shahlo Synthesis and crystal structure of bis-(2-aminobenzimidazolium) <i>catena</i>-[metavanadate(V)]. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 751-754
Space group: P 1 21/c 1
Cell volume: 1842.74
Cell parameters: 4.8817; 16.8263; 22.4354; 90; 90.675; 90;  

COD ID: 2023166
CIF file

Original IUCr paper

Formula: - C28.5 H23 B Cl F4 Fe O4 P -
Comments: Wong, Kelsey C.; Reinheimer, Eric W.; Nataro, Chip; Griffith, Daniel R. Crystal structure of tricarbon-yl[η<sup>4</sup>-6-<i>exo</i>-(tri-phenyl-phosphino)cyclo-hepta-2,4-dien-1-one]iron(0) tetra-fluoro-borate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 746-750
Space group: P -1
Cell volume: 2785.09
Cell parameters: 9.9343; 10.9767; 26.4168; 86.993; 82.468; 77.3;  

COD ID: 2023167
CIF file

Original IUCr paper

Formula: - C12 H14 Au2 Br2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 729-737
Space group: C 1 2/c 1
Cell volume: 1512
Cell parameters: 16.3717; 6.3844; 16.185; 90; 116.649; 90;  

COD ID: 2023168
CIF file

Original IUCr paper

Formula: - C12 H14 Au2 Br2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 729-737
Space group: C 1 2/m 1
Cell volume: 761.66
Cell parameters: 16.738; 6.44097; 8.1923; 90; 120.415; 90;  

COD ID: 2023169
CIF file

Original IUCr paper

Formula: - C14 H18 Au2 Cl2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 729-737
Space group: P -1
Cell volume: 838.71
Cell parameters: 6.7718; 8.5627; 15.1064; 105.356; 90.788; 96.311;  

COD ID: 2023170
CIF file

Original IUCr paper

Formula: - C14 H18 Au2 Br2 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 729-737
Space group: P -1
Cell volume: 868.05
Cell parameters: 6.8343; 8.6676; 15.4049; 105.72; 90.741; 98.242;  

COD ID: 2023171
CIF file

Original IUCr paper

Formula: - C10 H9 Au Br4 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 729-737
Space group: P -1
Cell volume: 735.08
Cell parameters: 7.9931; 8.4672; 11.3923; 87.202; 74.635; 81.406;  

COD ID: 2023172
CIF file

Original IUCr paper

Formula: - C8 H11 P S -
Comments: Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 755-758
Space group: P 1 21/n 1
Cell volume: 918.23
Cell parameters: 6.2805; 7.6549; 19.3578; 90; 99.372; 90;  

COD ID: 2023173
CIF file

Original IUCr paper

Formula: - C2 H7 Br2 N -
Comments: Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A. Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 738-741
Space group: P 1 21/c 1
Cell volume: 583.24
Cell parameters: 7.8966; 8.3394; 9.0089; 90; 100.546; 90;  

COD ID: 2023174
CIF file

Original IUCr paper

Formula: - C13 H19 N O7 -
Comments: Seidel, Rüdiger W; Kolev, Tsonko M. Crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2<i>S</i>,3<i>S</i>)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 763-766
Space group: P 21 21 21
Cell volume: 1426.3
Cell parameters: 7.0695; 7.4842; 26.9573; 90; 90; 90;  

COD ID: 2023175
CIF file

Original IUCr paper

Formula: - C14 H14 O4 -
Comments: Bationo, Valentin; Kambo, Konan René; Sombié, Charles Bavouma; Semdé, Rasmané; Francotte, Pierre; Djandé, Abdoulaye Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2<i>H</i>-chromen-4-yl penta-noate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 767-770
Space group: P 1 21/c 1
Cell volume: 1273.8
Cell parameters: 9.57455; 9.2966; 14.5761; 90; 100.952; 90;  

COD ID: 2023176
CIF file

Original IUCr paper

Formula: - C11 H9 F2 I N S -
Comments: Risken, Robin; Schrimpf, Tobias; Klotz, Franziska Dorothea; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 759-762
Space group: P 1 21/c 1
Cell volume: 1209.7
Cell parameters: 11.184; 5.2951; 20.544; 90; 96.137; 90;  

COD ID: 2023177
CIF file

Original IUCr paper

Formula: - C14 H14 N4 Ni S2 -
Comments: Näther, Christian; Mangelsen, Sebastian Synthesis, crystal structure and thermal properties of <i>catena</i>-poly[[bis-(4-methyl-pyridine)-nickel(II)]-di-μ-thio-cyanato], which shows an alternating all-<i>trans</i> and <i>cis-cis</i>-<i>trans</i>-coordination of the NiS<sub>2</sub>N<sup>p</sup> <sub>2</sub>N<sup>t</sup> <sub>2</sub> octa-hedra (p = 4-methyl-pyridine, t = thio-cyanate). Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 771-776
Space group: C 1 2/c 1
Cell volume: 3147.8
Cell parameters: 20.0352; 9.1536; 19.2268; 90; 116.783; 90;  

COD ID: 2023178
CIF file

Original IUCr paper

Formula: - C13 H12 N4 S -
Comments: Mustaphi, Nour El Hoda; Chlouchi, Amina; El Hafi, Mohamed; Mague, Joel T.; Hökelek, Tuncer; El Monfalouti, Hanae; Haoudi, Amal; Mazzah, Ahmed Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter-molecular inter-action energies and energy frameworks of 1-benzyl-4-(methyl-sulfan-yl)-3a,7a-di-hydro-1<i>H</i>-pyrazolo-[3,4-<i>d</i>]pyrimidine. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 783-788
Space group: P 1 21/c 1
Cell volume: 1196.96
Cell parameters: 12.4617; 7.0766; 13.65; 90; 96.085; 90;  

COD ID: 2023179
CIF file

Original IUCr paper

Formula: - C19 H18 Br F N2 O -
Comments: Pronina, Anastasia A.; Podrezova, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 777-782
Space group: P 1 21/n 1
Cell volume: 1668.06
Cell parameters: 9.2092; 9.0576; 20.4085; 90; 101.518; 90;  

COD ID: 2023180
CIF file

Original IUCr paper

Formula: - C36 H65.11 N27 O35.56 Pr -
Comments: Fedorenko, George V.; Zbruyev, Oleksandr I.; Pavlishchuk, Anna V.; Oleksenko, Lyudmila P.; Shova, Sergiu G.; Chebanov, Valentyn A.; Pavlishchuk, Vitaly V. The crystal structure of a mononuclear Pr<sup>III</sup> complex with cucurbit[6]uril. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 789-794
Space group: P 1 21/n 1
Cell volume: 11788
Cell parameters: 24.1937; 17.01202; 28.6422; 90; 90.5965; 90;  

COD ID: 2023181
CIF file

Original IUCr paper

Formula: - C48 H48 Cl4 Mn2 N6 O -
Comments: Le Thi Hong, Hai; Hoang Tuan, Duong; Nguyen Duc, Anh; Nguyen, Hien; Van Meervelt, Luc Synthesis, crystal structure and photophysical properties of a dinuclear Mn<sup>II</sup> complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 795-799
Space group: P -1
Cell volume: 2448.48
Cell parameters: 8.7491; 13.2133; 21.3793; 88.914; 82.29; 88.989;  

COD ID: 2023182
CIF file

Original IUCr paper

Formula: - C10 H10 N2 -
Comments: Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 800-805
Space group: P 1 21 1
Cell volume: 422.51
Cell parameters: 5.6651; 5.7566; 13.2321; 90; 101.732; 90;  

COD ID: 2023183
CIF file Formula: - C10 H12 N4 -
Comments: Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 800-805
Space group: P 1 21/c 1
Cell volume: 933.9
Cell parameters: 17.41; 4.7271; 11.4664; 90; 98.247; 90;  

COD ID: 2023184
CIF file

Original IUCr paper

Formula: - C7 H6 Cl N3 O4 S2 -
Comments: Brydson, Rowan K. H.; Kennedy, Alan R. A monoclinic polymorph of chloro-thia-zide. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 806-810
Space group: P 1 21 1
Cell volume: 513.069
Cell parameters: 4.8296; 6.2703; 16.9551; 90; 92.214; 90;  

COD ID: 2023185
CIF file

Original IUCr paper

Formula: - C70 H100 Cr2 N4 O10 -
Comments: Heiser, Christian; Merzweiler, Kurt Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 811-815
Space group: P -1
Cell volume: 1763.2
Cell parameters: 10.6402; 11.773; 15.1884; 82.353; 86.526; 69.248;  

COD ID: 2023186
CIF file Formula: - C50 H60 Cr2 N4 O8 -
Comments: Heiser, Christian; Merzweiler, Kurt Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands. Acta crystallographica. Section E, Crystallographic communications 80(Pt 7) (2024) 811-815
Space group: P -1
Cell volume: 1189.9
Cell parameters: 8.3679; 11.6127; 13.8355; 68.949; 83.891; 71.508;  

COD ID: 2312398
CIF file

Original IUCr paper

Formula: - C27 H20 N4 O3 S -
Comments: Le, Trong Duc; Nguyen, Tien Cong; Hoang, Thi Kim Dung; Huynh, Minh Khoi; Phan, Quang Thang; Van Meervelt, Luc Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 218-222
Space group: P 1 21/n 1
Cell volume: 2347.4
Cell parameters: 18.1825; 5.6191; 23.0548; 90; 94.76; 90;  

COD ID: 2312399
CIF file Formula: - C18 H22 N2 O -
Comments: Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen (<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 201-206
Space group: P -1
Cell volume: 795.14
Cell parameters: 8.383; 9.2872; 11.2981; 78.991; 71.009; 74.174;  

COD ID: 2312400
CIF file

Original IUCr paper

Formula: - C20 H21 Co N5 O3 S2 -
Comments: Näther, Christian; Jess, Inke Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 174-179
Space group: P -1
Cell volume: 2322.89
Cell parameters: 11.7033; 12.55284; 17.5256; 93.5044; 91.8625; 115.071;  

COD ID: 2312401
CIF file

Original IUCr paper

Formula: - C26 H28 Co N6 O4 S2 -
Comments: Näther, Christian; Jess, Inke Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 174-179
Space group: P -1
Cell volume: 711.99
Cell parameters: 7.0709; 9.6651; 11.0401; 90.609; 96.346; 108.09;  

COD ID: 2312402
CIF file

Original IUCr paper

Formula: - C16 H16 Br N O -
Comments: Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe (<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 213-217
Space group: P 21 21 21
Cell volume: 1540.8
Cell parameters: 5.6599; 7.9243; 34.353; 90; 90; 90;  

COD ID: 2312403
CIF file

Original IUCr paper

Formula: - C32 H32 Br2 Cl2 N2 O2 Pd -
Comments: Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe (<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 213-217
Space group: P 1 21 1
Cell volume: 3223.8
Cell parameters: 9.0493; 25.1365; 14.1725; 90; 90.185; 90;  

COD ID: 2312404
CIF file

Original IUCr paper

Formula: - Cd2 H O5 P -
Comments: Eder, Felix; Weil, Matthias Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 207-212
Space group: I 1 2/a 1
Cell volume: 849.43
Cell parameters: 12.4307; 6.691; 10.7087; 90; 107.506; 90;  

COD ID: 2312405
CIF file

Original IUCr paper

Formula: - Cd5 H4 O12 P2 -
Comments: Eder, Felix; Weil, Matthias Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 207-212
Space group: P 21 21 21
Cell volume: 1031.69
Cell parameters: 5.8901; 9.3455; 18.7423; 90; 90; 90;  

COD ID: 2312406
CIF file

Original IUCr paper

Formula: - C18 H14 Cl4 N2 O -
Comments: Kaspiaruk, Hanna; Chęcińska, Lilianna A triclinic polymorph of miconazole. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 196-200
Space group: P -1
Cell volume: 934.1
Cell parameters: 8.8691; 9.4161; 13.0347; 75.502; 85.013; 62.478;  

COD ID: 2312407
CIF file

Original IUCr paper

Formula: - Al3 B4 Cl Li4 O12 -
Comments: Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 169-173
Space group: F -4 3 c
Cell volume: 2188.85
Cell parameters: 12.9839; 12.9839; 12.9839; 90; 90; 90;  

COD ID: 2312408
CIF file

Original IUCr paper

Formula: - Al3 B4 Cl Li4 O12 -
Comments: Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 169-173
Space group: F 2 3
Cell volume: 2188.85
Cell parameters: 12.9839; 12.9839; 12.9839; 90; 90; 90;  

COD ID: 2312409
CIF file

Original IUCr paper

Formula: - Al3 B4 Cl0.92 Na3.92 O12 -
Comments: Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 169-173
Space group: F -4 3 c
Cell volume: 2510.13
Cell parameters: 13.5904; 13.5904; 13.5904; 90; 90; 90;  

COD ID: 2312410
CIF file

Original IUCr paper

Formula: - Al3 B4 Cl0.92 Na3.92 O12 -
Comments: Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na). Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 169-173
Space group: F 2 3
Cell volume: 2510.13
Cell parameters: 13.5904; 13.5904; 13.5904; 90; 90; 90;  

COD ID: 2312411
CIF file

Original IUCr paper

Formula: - C16 H12 Cl2 N2 O2 -
Comments: Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 184-190
Space group: P 1 21/c 1
Cell volume: 1474.8
Cell parameters: 15.47572; 4.16896; 23.2257; 90; 100.196; 90;  

COD ID: 2312412
CIF file

Original IUCr paper

Formula: - C17 H14 Cl2 N2 O2 -
Comments: Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 184-190
Space group: P 1 21/c 1
Cell volume: 1633.34
Cell parameters: 15.6177; 8.47502; 13.10365; 90; 109.656; 90;  

COD ID: 2312413
CIF file

Original IUCr paper

Formula: - C18 H16 Cl2 N2 O2 -
Comments: Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 184-190
Space group: P -1
Cell volume: 854.086
Cell parameters: 8.22057; 8.53211; 13.08729; 103.948; 101.905; 98.06;  

COD ID: 2312414
CIF file

Original IUCr paper

Formula: - C6 H6 B Na O9 -
Comments: Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 180-183
Space group: P 1 21/n 1
Cell volume: 941.38
Cell parameters: 7.9058; 8.2979; 14.6473; 90; 101.565; 90;  

COD ID: 2312415
CIF file

Original IUCr paper

Formula: - C13 H11 N O -
Comments: Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one. Acta crystallographica. Section E, Crystallographic communications 80(Pt 2) (2024) 191-195
Space group: P -1
Cell volume: 504.5
Cell parameters: 5.7855; 7.3347; 12.424; 106.519; 91.912; 92.326;  


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