Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section E' volume of publication is 75

COD ID: 2021414
CIF file

HKL data

Original IUCr paper

Formula: - C28 H22 O8 S2 -
Comments: Tan, Sang Loon; Tiekink, Edward R. T. A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 1
Space group: C 1 2/c 1
Cell volume: 2476.55
Cell parameters: 8.2311; 13.322; 22.7038; 90; 95.864; 90;  

COD ID: 2021424
CIF file

HKL data

Original IUCr paper

Formula: - C54 H48 Cl Ir N2 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P 1 21/n 1
Cell volume: 4724.74
Cell parameters: 18.3264; 13.6459; 19.301; 90; 101.803; 90;  

COD ID: 2021425
CIF file

HKL data

Original IUCr paper

Formula: - C62 H55 Cl5 Ir N3 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P b c n
Cell volume: 12696.6
Cell parameters: 28.1283; 19.0989; 23.6339; 90; 90; 90;  

COD ID: 2021426
CIF file

HKL data

Original IUCr paper

Formula: - C60 H56 Cl Ir N4 O2 P4 -
Comments: Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide Acta Crystallographica Section E Crystallographic Communications 75(1) (2019) 75
Space group: P -1
Cell volume: 2655.76
Cell parameters: 11.1683; 12.7805; 20.0591; 98.475; 93.122; 109.336;  

COD ID: 2021433
CIF file

HKL data

Original IUCr paper

Formula: - C98 H94 N8 O16 -
Comments: Pinalli, Roberta; Trzciński, Jakub W.; Dalcanale, Enrico; Massera, Chiara A new, deep quinoxaline-based cavitand receptor for the complexation of benzene Acta Crystallographica Section E Crystallographic Communications 75(2) (2019) 103
Space group: C 1 2/c 1
Cell volume: 8103.6
Cell parameters: 19.173; 20.756; 21.771; 90; 110.718; 90;  

COD ID: 2021536
CIF file

HKL data

Original IUCr paper

Formula: - C62 H80 Gd2 N8 O16 -
Comments: Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−) Acta Crystallographica Section E Crystallographic Communications 75(4) (2019) 418
Space group: P -1
Cell volume: 1633.7
Cell parameters: 9.8778; 12.872; 14.8025; 69.092; 74.786; 70.324;  

COD ID: 2021537
CIF file

HKL data

Formula: - C62 H80 Dy2 N8 O16 -
Comments: Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−) Acta Crystallographica Section E Crystallographic Communications 75(4) (2019) 418
Space group: P -1
Cell volume: 1626.2
Cell parameters: 9.883; 12.838; 14.832; 68.213; 74.653; 70.552;  

COD ID: 2021560
CIF file

Original IUCr paper

Formula: - C8 H3 F2 Mn O6 S -
Comments: Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I) Acta Crystallographica Section E Crystallographic Communications 75(5) (2019) 529
Space group: P 1 21/c 1
Cell volume: 1160.49
Cell parameters: 6.3503; 14.9583; 12.3127; 90; 97.149; 90;  

COD ID: 2021615
CIF file

HKL data

Original IUCr paper

Formula: - C23 H34 N2 O4 -
Comments: Wang, Haijing; Yin, Zhenming Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate) Acta Crystallographica Section E Crystallographic Communications 75(6) (2019) 711
Space group: F d d d
Cell volume: 9681
Cell parameters: 14.358; 17.333; 38.902; 90; 90; 90;  

COD ID: 2021657
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 N O3 P -
Comments: Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M. Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide Acta Crystallographica Section E Crystallographic Communications 75(7) (2019) 939
Space group: P 21 21 21
Cell volume: 1764.6
Cell parameters: 8.317; 12.657; 16.763; 90; 90; 90;  

COD ID: 2021694
CIF file

HKL data

Original IUCr paper

Formula: - C8 H6 Cl F3 N2 O S -
Comments: Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride Acta Crystallographica Section E Crystallographic Communications 75(8) (2019) 1084
Space group: P 1 21/c 1
Cell volume: 1024
Cell parameters: 15.737; 8.526; 7.761; 90; 100.45; 90;  

COD ID: 2021695
CIF file

HKL data

Formula: - C8 H5 F3 N2 O S -
Comments: Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride Acta Crystallographica Section E Crystallographic Communications 75(8) (2019) 1084
Space group: P -1
Cell volume: 1834.2
Cell parameters: 8.0824; 11.788; 19.745; 78.449; 84.378; 89.318;  

COD ID: 2021760
CIF file

HKL data

Original IUCr paper

Formula: - C30 H29 N O -
Comments: Ben Ali, Karim; Retailleau, Pascal Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol Acta Crystallographica Section E Crystallographic Communications 75(10) (2019) 1399
Space group: P 21 21 21
Cell volume: 2421.9
Cell parameters: 7.3009; 11.0552; 30.006; 90; 90; 90;  

COD ID: 2021794
CIF file

Original IUCr paper

Formula: - C15 H24 O3 -
Comments: Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V. Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane Acta Crystallographica Section E Crystallographic Communications 75(11) (2019) 1578
Space group: P 63 c m
Cell volume: 687.68
Cell parameters: 9.9966; 9.9966; 7.9461; 90; 90; 120;  

COD ID: 2242776
CIF file

HKL data

Original IUCr paper

Formula: - C9 H10 O3 -
Comments: Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias The crystal structures of four dimethoxybenzaldehyde isomers Acta Crystallographica Section E 75(1) (2019) 38-42
Space group: P 1 21/c 1
Cell volume: 808.59
Cell parameters: 7.6152; 15.5513; 7.5891; 90; 115.883; 90;  

COD ID: 2242777
CIF file

HKL data

Formula: - C9 H10 O3 -
Comments: Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias The crystal structures of four dimethoxybenzaldehyde isomers Acta Crystallographica Section E 75(1) (2019) 38-42
Space group: P 1 21/c 1
Cell volume: 803.35
Cell parameters: 15.1575; 3.9638; 14.6181; 90; 113.839; 90;  

COD ID: 2242778
CIF file

HKL data

Formula: - C9 H10 O3 -
Comments: Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias The crystal structures of four dimethoxybenzaldehyde isomers Acta Crystallographica Section E 75(1) (2019) 38-42
Space group: P 1 21/n 1
Cell volume: 797.66
Cell parameters: 3.878; 11.5513; 17.8153; 90; 91.808; 90;  

COD ID: 2242779
CIF file

HKL data

Formula: - C9 H10 O3 -
Comments: Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias The crystal structures of four dimethoxybenzaldehyde isomers Acta Crystallographica Section E 75(1) (2019) 38-42
Space group: P 1 21/c 1
Cell volume: 1640.03
Cell parameters: 11.7602; 13.8957; 11.4352; 90; 118.642; 90;  

COD ID: 2242780
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 Cl2 N2 O -
Comments: Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-2-one Acta Crystallographica Section E 75(1) (2019) 33-37
Space group: P 1 21/n 1
Cell volume: 1027.89
Cell parameters: 12.1783; 5.7217; 14.8258; 90; 95.74; 90;  

COD ID: 2242781
CIF file

HKL data

Original IUCr paper

Formula: - C8 H8 O3 -
Comments: Chia, Tze Shyang; Kwong, Huey Chong; Wong, Qin Ai; Quah, Ching Kheng; Arafath, Md. Azharul Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with <i>Z</i>' = 1 Acta Crystallographica Section E 75(1) (2019) 8-11
Space group: P 1 21/c 1
Cell volume: 710.28
Cell parameters: 3.8018; 15.6027; 11.9755; 90; 90.889; 90;  

COD ID: 2242782
CIF file

HKL data

Original IUCr paper

Formula: - C21 H25 N3 O -
Comments: Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T. Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile Acta Crystallographica Section E 75(1) (2019) 21-25
Space group: C 1 2/c 1
Cell volume: 3691.05
Cell parameters: 44.4837; 4.7293; 18.3432; 90; 106.965; 90;  

COD ID: 2242783
CIF file

HKL data

Formula: - Ca2 O8 Te3 -
Comments: Weil, Matthias Ca~2~Te~3~O~8~, a new phase in the CaO‒TeO~2~ system Acta Crystallographica Section E 75(1) (2019) 26-29
Space group: C m c m
Cell volume: 2379.3
Cell parameters: 18.7368; 6.8399; 18.5652; 90; 90; 90;  

COD ID: 2242784
CIF file

HKL data

Original IUCr paper

Formula: - O3 Pd Sr2 -
Comments: Thakur, Gohil S.; Reuter, Hans; Felser, Claudia; Jansen, Martin Redetermination of Sr~2~PdO~3~ from single-crystal X-ray data Acta Crystallographica Section E 75(1) (2019) 30-32
Space group: I m m m
Cell volume: 180.73
Cell parameters: 3.5342; 3.9822; 12.8414; 90; 90; 90;  

COD ID: 2242785
CIF file

HKL data

Original IUCr paper

Formula: - C15 H10 F N O3 -
Comments: Wong, Qin Ai; Chia, Tze Shyang; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (<i>E</i>)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one Acta Crystallographica Section E 75(1) (2019) 53-57
Space group: P 1 21/c 1
Cell volume: 1243.6
Cell parameters: 3.886; 13.2324; 24.199; 90; 91.963; 90;  

COD ID: 2242786
CIF file

HKL data

Original IUCr paper

Formula: - C18 H54 Er2 O36 -
Comments: Ponjan, Nutcha; Kodchasanthong, Kenika; Jiajaroen, Suwadee; Chainok, Kittipong Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate] Acta Crystallographica Section E 75(1) (2019) 64-67
Space group: R -3
Cell volume: 3107.19
Cell parameters: 14.0947; 14.0947; 18.0603; 90; 90; 120;  

COD ID: 2242787
CIF file

HKL data

Original IUCr paper

Formula: - C15 H11 Br Cl N3 -
Comments: Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Haoudi, Amal; Renard, Catherine; Capet, Frédéric Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine Acta Crystallographica Section E 75(1) (2019) 43-48
Space group: P -1
Cell volume: 705.66
Cell parameters: 7.6218; 8.5238; 11.1093; 95.739; 98.88; 94.979;  

COD ID: 2242788
CIF file

HKL data

Original IUCr paper

Formula: - C15 H10 Br F O -
Comments: Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Anis, Mohamad Zahid; Arshad, Suhana Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one Acta Crystallographica Section E 75(1) (2019) 58-63
Space group: P -1
Cell volume: 1283.57
Cell parameters: 6.009; 10.8695; 20.5616; 102.803; 96.938; 97.276;  

COD ID: 2242789
CIF file

HKL data

Original IUCr paper

Formula: - C17 H10 N2 O4 -
Comments: Chia, Tze Shyang; Kwong, Huey Chong; Sim, Ai Jia; Ng, Weng Zhun; Wong, Qin Ai; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul Conformational dimorphism of 2,2'-methylenebis(isoindoline-1,3-dione) Acta Crystallographica Section E 75(1) (2019) 49-52
Space group: C 1 2/c 1
Cell volume: 2770.5
Cell parameters: 26.296; 7.9996; 16.987; 90; 129.165; 90;  

COD ID: 2242790
CIF file

HKL data

Original IUCr paper

Formula: - C25 H24 F3 N3 O7 -
Comments: Feng, Sheng; Zhu, Gui-Liang; Sun, Jia-Jia; Chen, Chen; Zhang, Zhi-Hui Crystal structure of (<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate Acta Crystallographica Section E 75(1) (2019) 68-70
Space group: P 1 21/n 1
Cell volume: 2385
Cell parameters: 10.4324; 16.5656; 14.0448; 90; 100.707; 90;  

COD ID: 2242791
CIF file

HKL data

Original IUCr paper

Formula: - C12 H10 N6 -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine Acta Crystallographica Section E 75(1) (2019) 86-88
Space group: P 1 21/n 1
Cell volume: 1083.49
Cell parameters: 5.4603; 12.7845; 15.6474; 90; 97.281; 90;  

COD ID: 2242792
CIF file

HKL data

Original IUCr paper

Formula: - C16 H20 N2 O6 S2 -
Comments: Meral, Seher; Kansiz, Sevgi; Dege, Necmi; Alaman Agar, Aysen; Tsapyuk, Galyna G. Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide) Acta Crystallographica Section E 75(1) (2019) 81-85
Space group: C 1 2/c 1
Cell volume: 1972
Cell parameters: 16.3393; 13.4977; 9.7461; 90; 113.442; 90;  

COD ID: 2242793
CIF file

HKL data

Original IUCr paper

Formula: - C20 H17 N3 O3 -
Comments: El Ghayati, Lhoussaine; Ramli, Youssef; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine Acta Crystallographica Section E 75(1) (2019) 94-98
Space group: P 1 21/c 1
Cell volume: 1626
Cell parameters: 10.509; 7.435; 21.367; 90; 103.041; 90;  

COD ID: 2242794
CIF file

HKL data

Original IUCr paper

Formula: - C17 H14 N4 O3 -
Comments: Boulhaoua, Mohammed; Kansiz, Sevgi; El Hafi, Mohamed; Lahmidi, Sanae; Dege, Necmi; Benchidmi, Mohammed; Mague, Joel T. Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1<i>H</i>-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole Acta Crystallographica Section E 75(1) (2019) 71-74
Space group: P 1 21/c 1
Cell volume: 1423.3
Cell parameters: 7.8595; 11.8831; 15.5716; 90; 101.853; 90;  

COD ID: 2242795
CIF file

HKL data

Formula: - C15 H9 N3 S2 -
Comments: Popek, Rafal; Crundwell, Guy Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine Acta Crystallographica Section E 75(1) (2019) 89-93
Space group: P 1 21/c 1
Cell volume: 1315.76
Cell parameters: 5.25147; 14.1093; 17.769; 90; 92.0296; 90;  

COD ID: 2242796
CIF file

HKL data

Formula: - C15 H8 Br N3 S2 -
Comments: Popek, Rafal; Crundwell, Guy Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine Acta Crystallographica Section E 75(1) (2019) 89-93
Space group: P 1 21/c 1
Cell volume: 1423.3
Cell parameters: 5.8336; 29.4731; 8.316; 90; 95.466; 90;  

COD ID: 2242797
CIF file

HKL data

Original IUCr paper

Formula: - C20 H21 N O2 -
Comments: Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W. Crystal structure of 4-[(adamantan-1-yl)amino]naphthalene-1,2-dione Acta Crystallographica Section E 75(1) (2019) 99-102
Space group: P 1 21/c 1
Cell volume: 1524.2
Cell parameters: 12.8487; 10.8187; 11.8469; 90; 112.248; 90;  

COD ID: 2242798
CIF file

HKL data

Formula: - C48 H34 Co N14 O2 -
Comments: Benabdallah, Jamila; Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Titi, Abderrahim Crystal structure of tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) Acta Crystallographica Section E 75(2) (2019) 142-145
Space group: C 1 2/c 1
Cell volume: 4281.4
Cell parameters: 22.335; 10.9454; 18.721; 90; 110.691; 90;  

COD ID: 2242799
CIF file

HKL data

Original IUCr paper

Formula: - C42 H34 N6 O11 Sc2 -
Comments: Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. An unsymmetrical dinuclear scandium complex comprising salophen ligands [H~2~salophen = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-phenylenediamine] Acta Crystallographica Section E 75(2) (2019) 175-178
Space group: P b c a
Cell volume: 7794.3
Cell parameters: 13.6092; 21.588; 26.5297; 90; 90; 90;  

COD ID: 2242800
CIF file

HKL data

Original IUCr paper

Formula: - C15 H17 N O2 -
Comments: Hess, David; Mayer, Peter The crystal structures of benzylammonium phenylacetate and its hydrate Acta Crystallographica Section E 75(2) (2019) 194-201
Space group: C 1 2/c 1
Cell volume: 2651.9
Cell parameters: 25.913; 5.9021; 19.0842; 90; 114.692; 90;  

COD ID: 2242801
CIF file

HKL data

Formula: - C15 H19 N O3 -
Comments: Hess, David; Mayer, Peter The crystal structures of benzylammonium phenylacetate and its hydrate Acta Crystallographica Section E 75(2) (2019) 194-201
Space group: P 1 21/n 1
Cell volume: 1414.7
Cell parameters: 6.8235; 7.8766; 26.364; 90; 93.218; 90;  

COD ID: 2242802
CIF file

HKL data

Original IUCr paper

Formula: - C8 H5 Ag N2 O4 S2 -
Comments: Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J. Crystal structure of (1,3-thiazole-2-carboxylato-κ<i>N</i>)(1,3-thiazole-2-carboxylic acid-κ<i>N</i>)silver(I) Acta Crystallographica Section E 75(2) (2019) 185-188
Space group: P 1 21/c 1
Cell volume: 531.96
Cell parameters: 5.8613; 5.018; 18.278; 90; 98.303; 90;  

COD ID: 2242803
CIF file

HKL data

Original IUCr paper

Formula: - C19 H19 F N2 O3 -
Comments: Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions Acta Crystallographica Section E 75(2) (2019) 202-207
Space group: P 1 21/n 1
Cell volume: 1675.2
Cell parameters: 12.2358; 10.3185; 14.231; 90; 111.199; 90;  

COD ID: 2242804
CIF file

HKL data

Original IUCr paper

Formula: - C19 H18 F2 N2 O3 -
Comments: Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions Acta Crystallographica Section E 75(2) (2019) 202-207
Space group: P c a 21
Cell volume: 1682.78
Cell parameters: 14.2762; 15.9821; 7.3753; 90; 90; 90;  

COD ID: 2242805
CIF file

HKL data

Original IUCr paper

Formula: - C19 H18 Cl2 N2 O3 -
Comments: Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions Acta Crystallographica Section E 75(2) (2019) 202-207
Space group: P 1 21/n 1
Cell volume: 1811.9
Cell parameters: 12.2889; 12.3034; 13.3667; 90; 116.295; 90;  

COD ID: 2242806
CIF file

HKL data

Original IUCr paper

Formula: - C15 H10 Br F O -
Comments: Atioğlu, Zeliha; Bindya, S.; Akkurt, Mehmet; Chidan Kumar, C. S. Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-(3-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one Acta Crystallographica Section E 75(2) (2019) 146-149
Space group: P -1
Cell volume: 630.09
Cell parameters: 5.9255; 7.5867; 14.1427; 89.774; 82.671; 87.712;  

COD ID: 2242807
CIF file

HKL data

Original IUCr paper

Formula: - C13 H7 Cl3 O S -
Comments: Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Chidan Kumar, C. S.; Siddaraju, B. P. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one Acta Crystallographica Section E 75(2) (2019) 124-128
Space group: P 1 21/c 1
Cell volume: 1291
Cell parameters: 3.9017; 22.038; 15.127; 90; 96.998; 90;  

COD ID: 2242808
CIF file

HKL data

Original IUCr paper

Formula: - C34 H28 Cl N3 O3 S -
Comments: Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha Crystal structure of 7'-(4-chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione and an unknown solvent Acta Crystallographica Section E 75(2) (2019) 189-193
Space group: P -1
Cell volume: 3099
Cell parameters: 11.8222; 14.7535; 19.5055; 68.396; 78.555; 87.302;  

COD ID: 2242809
CIF file

HKL data

Original IUCr paper

Formula: - C11 H13 Cl Co N O3 -
Comments: Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate Acta Crystallographica Section E 75(2) (2019) 208-213
Space group: P c a 21
Cell volume: 1160.85
Cell parameters: 14.7269; 6.7024; 11.7607; 90; 90; 90;  

COD ID: 2242810
CIF file

HKL data

Original IUCr paper

Formula: - C19 H21 Co F6 N3 O3 P -
Comments: Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate Acta Crystallographica Section E 75(2) (2019) 208-213
Space group: P -1
Cell volume: 1072.48
Cell parameters: 7.9891; 9.431; 15.5425; 74.415; 78.183; 73.798;  

COD ID: 2242811
CIF file

HKL data

Original IUCr paper

Formula: - F8 Li4 Zr -
Comments: Chemey, Alexander T.; Albrecht-Schmitt, Thomas E. Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li~4~ZrF~8~, from single-crystal X-ray data Acta Crystallographica Section E 75(2) (2019) 139-141
Space group: P n m a
Cell volume: 523.83
Cell parameters: 9.5959; 9.6218; 5.6735; 90; 90; 90;  

COD ID: 2242812
CIF file

HKL data

Formula: - C21 H17 Cl2 N3 -
Comments: Rajesh, Rajagopal; Sella, E. S.; Blacque, Olivier; Rajesh, Kunjanpillai Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine] Acta Crystallographica Section E 75(2) (2019) 115-118
Space group: P -1
Cell volume: 1905.85
Cell parameters: 10.5375; 10.8479; 16.8936; 82.261; 88.543; 84.93;  

COD ID: 2242813
CIF file

HKL data

Formula: - C34 H38 O9 -
Comments: Kumar, Rajesh; Ogbeide, K. Osahon; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer Crystal structure, Hirshfeld surface analysis and electrostatic potential study of naturally occurring cassane-type diterpenoid Pulcherrimin C monohydrate at 100K Acta Crystallographica Section E 75(2) (2019) 119-123
Space group: P 21 21 21
Cell volume: 2992.1
Cell parameters: 11.8027; 13.2843; 19.0835; 90; 90; 90;  

COD ID: 2242814
CIF file

HKL data

Original IUCr paper

Formula: - C15 H16 N O4.5 -
Comments: Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Arif; Ahmad, Musheer; Gupta, Mayank; Dege, Necmi; Iskenderov, Turganbay Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate Acta Crystallographica Section E 75(2) (2019) 159-162
Space group: C 1 2/c 1
Cell volume: 2610.7
Cell parameters: 24.742; 5.5002; 19.387; 90; 98.292; 90;  

COD ID: 2242815
CIF file

HKL data

Original IUCr paper

Formula: - C20 H21 N4 O1.5 -
Comments: Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar Crystal structure and Hirshfeld surface analysis of <i>N</i>-{2-[(<i>E</i>)-(4-methylbenzylidene)amino]phenyl}-2-(5-methyl-1-<i>H</i>-pyrazol-3-yl)acetamide hemihydrate Acta Crystallographica Section E 75(2) (2019) 154-158
Space group: P -1
Cell volume: 1813.8
Cell parameters: 11.546; 12.564; 13.172; 101.991; 97.535; 99.847;  

COD ID: 2242816
CIF file

HKL data

Original IUCr paper

Formula: - C17 H17 N3 O -
Comments: Saritha, S. R.; Anitha, L.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R. Crystal structure of 2-[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylhydrazinecarboxamide Acta Crystallographica Section E 75(2) (2019) 163-166
Space group: P -1
Cell volume: 1530.51
Cell parameters: 10.214; 10.5133; 15.3297; 106.652; 99.111; 97.416;  

COD ID: 2242817
CIF file

HKL data

Original IUCr paper

Formula: - C15 H15 I N4 O -
Comments: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Furuya, Tetsundo; Akitsu, Takashiro; Glidewell, Christopher The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π‒π stacking interactions and I···N halogen bonds Acta Crystallographica Section E 75(2) (2019) 129-133
Space group: P 1 21/n 1
Cell volume: 1541.3
Cell parameters: 9.6417; 13.604; 12.174; 90; 105.155; 90;  

COD ID: 2242818
CIF file

HKL data

Original IUCr paper

Formula: - C4 H10 Cl Li N2 O8 -
Comments: Revathi, Palanisamy; Mohan, Janani S.; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah Crystal structure and Hirshfeld surface analysis of poly[[di-μ~3~-glycine-lithium] perchlorate] Acta Crystallographica Section E 75(2) (2019) 134-138
Space group: P 1 21/c 1
Cell volume: 967.4
Cell parameters: 12.7792; 5.2144; 15.6368; 90; 111.808; 90;  

COD ID: 2242819
CIF file

Original IUCr paper

Formula: - C15 H13 Br N2 O -
Comments: Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-<i>N</i>'-(2-bromobenzylidene)-4-methylbenzohydrazide Acta Crystallographica Section E 75(2) (2019) 109-114
Space group: P n a 21
Cell volume: 1396.2
Cell parameters: 9.6002; 11.5584; 12.5823; 90; 90; 90;  

COD ID: 2242820
CIF file

Original IUCr paper

Formula: - C32 H25 Cl N2 O4 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J. The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one Acta Crystallographica Section E 75(2) (2019) 218-222
Space group: P -1
Cell volume: 1297.32
Cell parameters: 10.6777; 11.6095; 12.6037; 98.383; 105.378; 115.522;  

COD ID: 2242821
CIF file

Original IUCr paper

Formula: - C33 H28 N2 O5 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J. The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one Acta Crystallographica Section E 75(2) (2019) 218-222
Space group: P 1 21/n 1
Cell volume: 5373.2
Cell parameters: 19.8942; 13.6097; 20.7822; 90; 107.268; 90;  

COD ID: 2242822
CIF file

Original IUCr paper

Formula: - C6 H6 Na O7 Rb -
Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227
Space group: P -1
Cell volume: 471.28
Cell parameters: 5.9864; 8.4104; 10.2903; 74.798; 76.756; 72.878;  

COD ID: 2242823
CIF file Formula: - C6 H6 Na O7 Rb -
Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227
Space group: P -1
Cell volume: 471.234
Cell parameters: 5.9859; 8.4102; 10.2904; 74.7995; 76.7573; 72.8749;  

COD ID: 2242824
CIF file

Original IUCr paper

Formula: - C6 H6 Cs Na O7 -
Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227
Space group: I 1 2 1
Cell volume: 1060.96
Cell parameters: 10.8913; 5.5168; 17.7908; 90; 97.014; 90;  

COD ID: 2242825
CIF file Formula: - C6 H6 Cs Na O7 -
Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227
Space group: I 1 2 1
Cell volume: 1060.97
Cell parameters: 10.8918; 5.5166; 17.7909; 90; 97.016; 90;  

COD ID: 2242826
CIF file

HKL data

Original IUCr paper

Formula: - C17 H14 O -
Comments: Kikuchi, Takuya; Gontani, Saori; Miyanaga, Kyohei; Kurata, Takaaki; Akatani, Yoshiki; Matsumoto, Shinya Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper Acta Crystallographica Section E 75(2) (2019) 242-245
Space group: P 21 21 21
Cell volume: 1242.3
Cell parameters: 6.10537; 7.58687; 26.8196; 90; 90; 90;  

COD ID: 2242827
CIF file

HKL data

Original IUCr paper

Formula: - C17 H18 N2 O3 -
Comments: Samba, Mohamed; Minnih, Mohamed Said; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.; Sebbar, Nada Kheira; Essassi, El Mokhtar Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2<i>H</i>-pyran-2,4-dione Acta Crystallographica Section E 75(2) (2019) 228-232
Space group: P 1 21/n 1
Cell volume: 1523.77
Cell parameters: 5.5373; 24.0197; 11.7815; 90; 103.488; 90;  

COD ID: 2242828
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 Cl2 F N3 O2 -
Comments: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova, Khanim N.; Toze, Flavien A. A. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene Acta Crystallographica Section E 75(2) (2019) 237-241
Space group: P 1 21/c 1
Cell volume: 1451.32
Cell parameters: 15.8644; 7.2242; 12.7595; 90; 97.038; 90;  

COD ID: 2242829
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 N2 O3 S -
Comments: Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S. Crystal structures of 6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione Acta Crystallographica Section E 75(2) (2019) 246-250
Space group: P 1 21/n 1
Cell volume: 1701.3
Cell parameters: 11.3058; 10.0905; 15.1957; 90; 101.072; 90;  

COD ID: 2242830
CIF file

HKL data

Original IUCr paper

Formula: - C21 H18 N2 O3 S -
Comments: Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S. Crystal structures of 6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione Acta Crystallographica Section E 75(2) (2019) 246-250
Space group: P -1
Cell volume: 885.31
Cell parameters: 8.3648; 9.7648; 11.9677; 112.622; 99.388; 91.885;  

COD ID: 2242831
CIF file

Original IUCr paper

Formula: - C14 H12 N4 S -
Comments: Majoumo-Mbe, Felicite; Ngwang Nfor, Emmanuel; Kenfack Tsobnang, Patrice; Nguepmeni Eloundou, Valoise Brenda; Ngwain Yong, Joseph; Iris Efeti, Ikome Synthesis, molecular and crystal structure of 1-(1,2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine Acta Crystallographica Section E 75(2) (2019) 251-254
Space group: P 1 21/n 1
Cell volume: 2573.7
Cell parameters: 8.921; 11.6792; 24.702; 90; 90.051; 90;  

COD ID: 2242832
CIF file

HKL data

Original IUCr paper

Formula: - C35 H27 Cl N4 O3 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J. Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6<i>H</i>,7<i>H</i>-spiro[chromeno[3,4-<i>a</i>]indolizine-12,11'-indeno[1,2-<i>b</i>]quinoxaline] Acta Crystallographica Section E 75(2) (2019) 255-259
Space group: P 1 21/c 1
Cell volume: 5915.14
Cell parameters: 14.188; 23.445; 18.371; 90; 104.541; 90;  

COD ID: 2242833
CIF file

HKL data

Original IUCr paper

Formula: - C28 H32 N2 O4 -
Comments: Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M. Intermolecular interactions in a phenol-substituted benzimidazole Acta Crystallographica Section E 75(2) (2019) 272-276
Space group: P 1 21/c 1
Cell volume: 2534.9
Cell parameters: 5.7307; 19.733; 22.436; 90; 92.4; 90;  

COD ID: 2242834
CIF file

HKL data

Original IUCr paper

Formula: - C12 H13 B Fe O3 -
Comments: Preuss, Andrea; Korb, Marcus; Lang, Heinrich Crystal structure of (2-acetylferrocen-1-yl)boronic acid Acta Crystallographica Section E 75(2) (2019) 268-271
Space group: P 1 21/n 1
Cell volume: 1152.7
Cell parameters: 7.7627; 11.7335; 12.7969; 90; 98.527; 90;  

COD ID: 2242835
CIF file

HKL data

Original IUCr paper

Formula: - C80 H88 Cl N O14 P4 -
Comments: Biavardi, Elisa; Massera, Chiara Crystal structure of a host‒guest complex between mephedrone hydrochloride and a tetraphosphonate cavitand Acta Crystallographica Section E 75(2) (2019) 277-283
Space group: P 1 21/c 1
Cell volume: 7880.8
Cell parameters: 17.5353; 22.4798; 21.2031; 90; 109.455; 90;  

COD ID: 2242836
CIF file

HKL data

Original IUCr paper

Formula: - C29 H30 N4 Ni O5 S2 -
Comments: Wellm, Carsten; Näther, Christian Crystal structure of bis(4-benzoylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) methanol monosolvate Acta Crystallographica Section E 75(2) (2019) 299-303
Space group: P 1 21/n 1
Cell volume: 3001.4
Cell parameters: 12.0588; 7.5515; 33.0408; 90; 94.021; 90;  

COD ID: 2242837
CIF file

HKL data

Original IUCr paper

Formula: - C27 H35 N3 O7 -
Comments: Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene Acta Crystallographica Section E 75(2) (2019) 292-298
Space group: P -1
Cell volume: 1296.6
Cell parameters: 11.2743; 11.2898; 12.6478; 111.923; 114.325; 95.903;  

COD ID: 2242838
CIF file

HKL data

Original IUCr paper

Formula: - C32 H26 Cl N5 O12 S -
Comments: Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene Acta Crystallographica Section E 75(2) (2019) 292-298
Space group: P 1 21/c 1
Cell volume: 3205.4
Cell parameters: 11.3454; 24.3857; 11.6098; 90; 93.691; 90;  

COD ID: 2242839
CIF file

HKL data

Original IUCr paper

Formula: - C12 H7 Br F4 N2 O2 -
Comments: Bosch, Eric Crystal structure of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate Acta Crystallographica Section E 75(2) (2019) 284-287
Space group: P 1 21/c 1
Cell volume: 1283.42
Cell parameters: 13.723; 6.5757; 15.3224; 90; 111.841; 90;  

COD ID: 2242840
CIF file

HKL data

Original IUCr paper

Formula: - C15 H16 F6 N O P -
Comments: Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P. Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane Acta Crystallographica Section E 75(2) (2019) 288-291
Space group: P 1 21 1
Cell volume: 802.06
Cell parameters: 6.432; 9.3645; 13.607; 90; 101.868; 90;  

COD ID: 2242841
CIF file

HKL data

Original IUCr paper

Formula: - C21 H21 F6 N2 P -
Comments: Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P. Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane Acta Crystallographica Section E 75(2) (2019) 288-291
Space group: C 1 c 1
Cell volume: 2026.9
Cell parameters: 19.4596; 10.7416; 11.9654; 90; 125.864; 90;  

COD ID: 2242842
CIF file

HKL data

Formula: - C41 H63 N10 O13 P -
Comments: Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao Crystal structure of a host‒guest complex of the tris-urea receptor, 3-(4-nitrophenyl)-1,1-bis{2-[3-(4-nitrophenyl)ureido]ethyl}urea, that encapsulates hydrogen-bonded chains of dihydrogen phosphate anions with separate tetra-<i>n</i>-butylammonium counter-ions Acta Crystallographica Section E 75(3) (2019) 319-323
Space group: P -1
Cell volume: 4706.3
Cell parameters: 15.2043; 17.4555; 18.1232; 83.797; 79.818; 89.191;  

COD ID: 2242843
CIF file

HKL data

Original IUCr paper

Formula: - C32 H41 Cl2 N3 Ru -
Comments: Polyanskii, Kirill B.; Alekseeva, Kseniia A.; Kumandin, Pavel A.; Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A. Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate Acta Crystallographica Section E 75(3) (2019) 342-345
Space group: C 1 2/c 1
Cell volume: 6797.9
Cell parameters: 35.8175; 10.5633; 24.0946; 90; 131.781; 90;  

COD ID: 2242844
CIF file

HKL data

Original IUCr paper

Formula: - C33 H34 Cl N O S Sn -
Comments: Yennawar, Hemant P.; Tierney, John; Cannon, Kevin C. Crystal structure of a 1:1 adduct of triphenyltin chloride with 3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one Acta Crystallographica Section E 75(3) (2019) 338-341
Space group: P 1 21/c 1
Cell volume: 3111.6
Cell parameters: 15.36; 18.879; 10.992; 90; 102.524; 90;  

COD ID: 2242845
CIF file

HKL data

Formula: - C18 H12 F6 N2 Ni O4 -
Comments: Demir Kanmazalp, Sibel; Meral, Seher; Dege, Necmi; Alaman Agar, Aysen; Fritsky, Igor O. Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol] Acta Crystallographica Section E 75(3) (2019) 328-331
Space group: P 1 21/n 1
Cell volume: 1825.71
Cell parameters: 7.0709; 19.8158; 13.1957; 90; 99.089; 90;  

COD ID: 2242846
CIF file

HKL data

Original IUCr paper

Formula: - As2 Cs Ga H2 O8 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe CsGa(HAsO~4~)~2~, the first Ga representative of the RbAl(HAsO~4~)~2~ structure type Acta Crystallographica Section E 75(3) (2019) 346-349
Space group: R 3 2 :H
Cell volume: 1685
Cell parameters: 8.481; 8.481; 27.05; 90; 90; 120;  

COD ID: 2242847
CIF file

HKL data

Original IUCr paper

Formula: - C14 H9 Br Cl2 N2 O -
Comments: Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (<i>E</i>)-4-bromo-<i>N</i>'-(2,3-dichlorobenzylidene)benzohydrazide Acta Crystallographica Section E 75(3) (2019) 324-327
Space group: P 1 21/c 1
Cell volume: 1454.9
Cell parameters: 11.1952; 14.055; 9.305; 90; 96.446; 90;  

COD ID: 2242848
CIF file

HKL data

Original IUCr paper

Formula: - C32 H74 Cl4 N8 Ni2 O17 -
Comments: Corfield, Peter W. R.; Goedken, Virgil L. Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate Acta Crystallographica Section E 75(3) (2019) 332-337
Space group: P 1 21/c 1
Cell volume: 4885
Cell parameters: 8.906; 29.412; 19.505; 90; 107.03; 90;  

COD ID: 2242849
CIF file

HKL data

Formula: - C16 H42 Br2 N4 Ni O3 -
Comments: Corfield, Peter W. R.; Goedken, Virgil L. Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate Acta Crystallographica Section E 75(3) (2019) 332-337
Space group: F d d 2
Cell volume: 9552.2
Cell parameters: 60.3649; 19.8364; 7.9773; 90; 90; 90;  

COD ID: 2242850
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 N4 O2 S -
Comments: Phiromphu, Nutchanikan; Chainok, Kittipong; Songsasen, Apisit; Duangthongyou, Tanwawan Crystal structure of 3-methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate Acta Crystallographica Section E 75(3) (2019) 354-357
Space group: P 1 21/n 1
Cell volume: 1136.4
Cell parameters: 9.051; 11.526; 10.893; 90; 90.345; 90;  

COD ID: 2242851
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 Cl N O3 -
Comments: Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Taşdemir, Volkan; Dege, Necmi; Aĝar, Erbil; Fritsky, Igor O. Crystal structure and Hirshfeld surface analysis of a Schiff base: (<i>Z</i>)-6-[(5-chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one Acta Crystallographica Section E 75(3) (2019) 362-366
Space group: P 1 21/c 1
Cell volume: 1298.74
Cell parameters: 14.7251; 14.4444; 6.1698; 90; 98.241; 90;  

COD ID: 2242852
CIF file

HKL data

Original IUCr paper

Formula: - C27 H41 F12 Fe N10 O3 P2 -
Comments: Znovjyak, Kateryna; Fritsky, Igor O.; Golenya, Iryna A.; Sliva, Tatiana Y.; Haukka, Matti Crystal structure and magnetic properties of (tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine)iron(II) bis(hexafluoridophosphate) Acta Crystallographica Section E 75(3) (2019) 358-361
Space group: P 1 21/c 1
Cell volume: 3671.09
Cell parameters: 15.82801; 14.36708; 17.421; 90; 112.078; 90;  

COD ID: 2242853
CIF file

HKL data

Original IUCr paper

Formula: - C21 H22 K N6 O3.5 S3 -
Comments: Azzam, Rasha A.; Elgemeie, Galal H.; Osman, Rokia R.; Jones, Peter G. Crystal structure of potassium [4-amino-5-(benzo[<i>d</i>]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate Acta Crystallographica Section E 75(3) (2019) 367-371
Space group: P -1
Cell volume: 2411.88
Cell parameters: 11.8407; 12.6001; 18.8671; 90.16; 102.361; 117.933;  

COD ID: 2242854
CIF file

HKL data

Original IUCr paper

Formula: - C16 H18 N2 O3 -
Comments: Zaoui, Younes; Ramli, Youssef; Taoufik, Jamal; Mague, Joel T.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Ansar, M'hammed Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E 75(3) (2019) 392-396
Space group: P 1 21/n 1
Cell volume: 1465
Cell parameters: 7.4069; 8.1959; 24.133; 90; 90.295; 90;  

COD ID: 2242855
CIF file

HKL data

Original IUCr paper

Formula: - C62 H84 N4 O4 -
Comments: Gall, James H.; MacNicol, David D.; MacSween, Ross; Frampton, Christopher S. Synthesis and crystal structure of 2,4,6,8-tetrakis(3,5-di-<i>tert</i>-butylphenoxy)pyrimido[5,4-<i>d</i>]pyrimidine: expansion of the Piedfort concept Acta Crystallographica Section E 75(3) (2019) 383-387
Space group: P 1 21/n 1
Cell volume: 11540.9
Cell parameters: 18.48641; 15.8431; 39.4611; 90; 93.0666; 90;  

COD ID: 2242856
CIF file

HKL data

Original IUCr paper

Formula: - C18 H12 F N O S -
Comments: Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Ouzidan, Younes; Moussaif, Ahmed; Mague, Joel T.; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and DFT study of (2<i>Z</i>)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one Acta Crystallographica Section E 75(3) (2019) 372-377
Space group: P -1
Cell volume: 705.96
Cell parameters: 4.0602; 13.8983; 14.262; 117.809; 93.155; 94.416;  

COD ID: 2242857
CIF file

HKL data

Original IUCr paper

Formula: - C30 H48 La2 O24 -
Comments: Camara, Magatte; Badiane, Insa; Diallo, Mamoudou; Daiguebonne, Carole; Guillou, Olivier Synthesis and crystal structure of a new coordination polymer based on lanthanum and 1,4-phenylenediacetate ligands Acta Crystallographica Section E 75(3) (2019) 378-382
Space group: P -1
Cell volume: 1005.21
Cell parameters: 9.1197; 11.1231; 11.9434; 107.049; 107.729; 106.622;  

COD ID: 2242858
CIF file

HKL data

Formula: - C41 H40 O14 -
Comments: Pedrini, Alessandro Host‒guest supramolecular interactions between a resorcinarene-based cavitand bearing a ‒COOH moiety and acetic acid Acta Crystallographica Section E 75(3) (2019) 397-401
Space group: P -1
Cell volume: 1762.13
Cell parameters: 11.7576; 11.9561; 14.1979; 91.71; 105.728; 111.98;  

COD ID: 2242859
CIF file

HKL data

Original IUCr paper

Formula: - Fe K3 Ni6 O24 P6 -
Comments: Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of a new tripotassium hexanickel iron hexaphosphate Acta Crystallographica Section E 75(3) (2019) 402-404
Space group: C 1 2/m 1
Cell volume: 957.97
Cell parameters: 10.6853; 14.1009; 6.5481; 90; 103.842; 90;  

COD ID: 2242860
CIF file

HKL data

Original IUCr paper

Formula: - C20 H28 Cl N2 P Si -
Comments: Mo, Dennis; Frank, Walter Synthesis and crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-diazaphosphasiletidine Acta Crystallographica Section E 75(3) (2019) 405-409
Space group: C 1 c 1
Cell volume: 2163.14
Cell parameters: 13.4004; 15.6272; 10.3817; 90; 95.739; 90;  

COD ID: 2242861
CIF file

Original IUCr paper

Formula: - C6 H5 K Li2 O7 -
Comments: Cigler, Andrew J.; Kaduk, James A. Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations Acta Crystallographica Section E 75(3) (2019) 410-413
Space group: P -1
Cell volume: 416.59
Cell parameters: 6.4842; 6.6833; 9.8171; 87.637; 80.606; 83.109;  

COD ID: 2242862
CIF file Formula: - C6 H5 K Li2 O7 -
Comments: Cigler, Andrew J.; Kaduk, James A. Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations Acta Crystallographica Section E 75(3) (2019) 410-413
Space group: P -1
Cell volume: 416.593
Cell parameters: 6.4842; 6.6833; 9.8171; 87.637; 80.606; 83.109;  

COD ID: 2242863
CIF file

HKL data

Original IUCr paper

Formula: - C26 H32 F N7 O4 -
Comments: Nerdinger, Sven; Stefinovic, Marijan; Richter, Frank; Olma, Jacek; Brysz, Michal; Walker, Tracy; Kahlenberg, Volker; Gelbrich, Thomas Crystal structure of idelalisib <i>tert</i>-butanol monosolvate dihydrate Acta Crystallographica Section E 75(3) (2019) 414-417
Space group: C 1 2 1
Cell volume: 2703.75
Cell parameters: 21.3758; 9.2781; 13.9722; 90; 102.654; 90;  

COD ID: 2242864
CIF file

HKL data

Original IUCr paper

Formula: - C17 H17 N O3 -
Comments: Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate Acta Crystallographica Section E 75(4) (2019) 423-427
Space group: P -1
Cell volume: 1516.37
Cell parameters: 7.7842; 8.8802; 22.2112; 94.791; 97.62; 90.043;  

COD ID: 2242865
CIF file

HKL data

Original IUCr paper

Formula: - C3 H5 Cl N2 O S -
Comments: Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride Acta Crystallographica Section E 75(4) (2019) 443-446
Space group: P b c a
Cell volume: 1213.2
Cell parameters: 7.5106; 9.314; 17.343; 90; 90; 90;  

COD ID: 2242866
CIF file

HKL data

Original IUCr paper

Formula: - C29 H30 Fe N7 Ni O5 P -
Comments: Sutthirat, Natwara; Ziller, Joseph W.; Yang, Jenny Y.; Thammavongsy, Zachary Crystal structure of NiFe(CO)~5~[tris(pyridylmethyl)azaphosphatrane]: a synthetic mimic of the NiFe hydrogenase active site incorporating a pendant pyridine base Acta Crystallographica Section E 75(4) (2019) 438-442
Space group: P 1 21/c 1
Cell volume: 3030.8
Cell parameters: 11.5584; 12.9709; 20.761; 90; 103.161; 90;  

COD ID: 2242867
CIF file

HKL data

Original IUCr paper

Formula: - C12 H17 N2 O2.5 -
Comments: Rajeswari, Balakrishnan; Santhi, Radhakrishnan; Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri Crystal structure and Hirshfeld surface analysis of 2-(1<i>H</i>-indol-3-yl)ethanaminium acetate hemihydrate Acta Crystallographica Section E 75(4) (2019) 451-455
Space group: P -1
Cell volume: 2425.7
Cell parameters: 10.8328; 13.2452; 18.1426; 111.276; 90.182; 90.125;  

COD ID: 2242868
CIF file

Original IUCr paper

Formula: - C56 H66 Al2 O4 -
Comments: Vinogradov, Alexander A.; Minyaev, Mikhail E.; Lyssenko, Konstantin A.; Nifant'ev, Ilya E. Crystal structure of bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium) Acta Crystallographica Section E 75(4) (2019) 456-459
Space group: P -1
Cell volume: 1243.25
Cell parameters: 9.2839; 12.0281; 12.5999; 108.79; 109.143; 91.866;  

COD ID: 2242869
CIF file

Original IUCr paper

Formula: - Cl2 O8 Sr -
Comments: Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data Acta Crystallographica Section E 75(4) (2019) 447-450
Space group: P b c a
Cell volume: 1301.73
Cell parameters: 14.18206; 9.78934; 9.37624; 90; 90; 90;  

COD ID: 2242870
CIF file

HKL data

Original IUCr paper

Formula: - C22 H22 O -
Comments: Mahdi, Fatiha; Sid, Assia; Bouchene, Rafika; Mosset, Paul; Roisnel, Thierry (<i>E</i>,<i>E</i>)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone: synthesis, characterization, Hirshfeld surface analysis and antibacterial activity Acta Crystallographica Section E 75(4) (2019) 506-511
Space group: P 1 21/n 1
Cell volume: 1663.5
Cell parameters: 9.8037; 8.9815; 18.8946; 90; 90.985; 90;  

COD ID: 2242871
CIF file

HKL data

Formula: - C15 H10 Cl N -
Comments: Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah Quantitative analysis of weak non-covalent interactions in (<i>Z</i>)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from <i>PIXEL</i> and Hirshfeld surface analysis Acta Crystallographica Section E 75(4) (2019) 499-505
Space group: P b c n
Cell volume: 2382.6
Cell parameters: 13.3417; 7.103; 25.1418; 90; 90; 90;  

COD ID: 2242872
CIF file

HKL data

Original IUCr paper

Formula: - C13 H9 N -
Comments: Stephens, Peter W.; Schur, Einat; Lapidus, Saul H.; Bernstein, Joel Acridine form IX Acta Crystallographica Section E 75(4) (2019) 489-491
Space group: P 1 21/n 1
Cell volume: 932.613
Cell parameters: 11.28453; 12.38182; 6.67905; 90; 92.0618; 90;  

COD ID: 2242873
CIF file

HKL data

Original IUCr paper

Formula: - C15 H12 F3 N O3 -
Comments: Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A. (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol Acta Crystallographica Section E 75(4) (2019) 470-474
Space group: P n a 21
Cell volume: 1356.69
Cell parameters: 30.79; 9.0703; 4.8579; 90; 90; 90;  

COD ID: 2242874
CIF file

HKL data

Original IUCr paper

Formula: - C17 H19 N3 O5 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K. The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and <i>N</i>-(2,4-dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide Acta Crystallographica Section E 75(4) (2019) 482-488
Space group: P -1
Cell volume: 792.27
Cell parameters: 8.526; 8.8415; 11.9462; 88.66; 69.568; 70.724;  

COD ID: 2242875
CIF file

HKL data

Original IUCr paper

Formula: - C20 H19 N O6 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K. The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and <i>N</i>-(2,4-dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide Acta Crystallographica Section E 75(4) (2019) 482-488
Space group: P 1 21 1
Cell volume: 897.41
Cell parameters: 7.2779; 8.5759; 14.4099; 90; 93.796; 90;  

COD ID: 2242876
CIF file

HKL data

Formula: - C13 H13 Br N4 O -
Comments: Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O. Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives Acta Crystallographica Section E 75(4) (2019) 492-498
Space group: P -1
Cell volume: 657.13
Cell parameters: 6.1446; 9.7407; 11.6801; 109.657; 92.325; 91.664;  

COD ID: 2242877
CIF file

HKL data

Formula: - C18 H17 N5 O2 -
Comments: Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O. Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives Acta Crystallographica Section E 75(4) (2019) 492-498
Space group: P b c a
Cell volume: 3134.7
Cell parameters: 11.2814; 12.6299; 22.0008; 90; 90; 90;  

COD ID: 2242878
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 Cl3 F N2 -
Comments: Shikhaliyev, Namiq Q.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Toze, Flavien A. A. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]diazene Acta Crystallographica Section E 75(4) (2019) 465-469
Space group: P 1 21/c 1
Cell volume: 1374.9
Cell parameters: 3.8617; 24.249; 14.724; 90; 94.3; 90;  

COD ID: 2242879
CIF file

HKL data

Original IUCr paper

Formula: - C24 H22 Cl N O7 S2 -
Comments: Tan, Sang Loon; Tiekink, Edward R. T. A 1:1:1 co-crystal solvate comprising 2,2'-dithiodibenzoic acid, 2-chlorobenzoic acid and <i>N</i>,<i>N</i>-dimethylformamide: crystal structure, Hirshfeld surface analysis and computational study Acta Crystallographica Section E 75(4) (2019) 475-481
Space group: P -1
Cell volume: 1181.61
Cell parameters: 7.7487; 7.8575; 21.4486; 86.136; 88.693; 65.08;  

COD ID: 2242880
CIF file

HKL data

Original IUCr paper

Formula: - C9 H11 B10 F7 -
Comments: Watson, James D.; Benton, Amanda; Tricas, Hugo; Rosair, Georgina M.; Welch, Alan J. Crystal structure of 1-heptafluorotolyl-<i>closo</i>-1,2-dicarbadodecaborane Acta Crystallographica Section E 75(4) (2019) 512-515
Space group: P 21 21 21
Cell volume: 1546.43
Cell parameters: 6.7872; 11.6926; 19.4863; 90; 90; 90;  

COD ID: 2242881
CIF file

HKL data

Original IUCr paper

Formula: - C8 H4 F3 N O4 -
Comments: Diehl III, George L.; Je, Lisa; Tanski, Joseph M. Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid Acta Crystallographica Section E 75(4) (2019) 524-528
Space group: P c c n
Cell volume: 1774.2
Cell parameters: 12.1612; 14.847; 9.8265; 90; 90; 90;  

COD ID: 2242882
CIF file

HKL data

Original IUCr paper

Formula: - C8 H4 F3 N O4 -
Comments: Diehl III, George L.; Je, Lisa; Tanski, Joseph M. Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid Acta Crystallographica Section E 75(4) (2019) 524-528
Space group: P 1 21/n 1
Cell volume: 871.5
Cell parameters: 6.8986; 17.24; 7.6912; 90; 107.685; 90;  

COD ID: 2242883
CIF file

HKL data

Original IUCr paper

Formula: - C13 H24 B N O2 -
Comments: Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N. Crystal structure of memantine‒carboxyborane Acta Crystallographica Section E 75(5) (2019) 543-546
Space group: C 1 2/c 1
Cell volume: 3509.2
Cell parameters: 34.229; 11.1051; 9.2922; 90; 96.526; 90;  

COD ID: 2242884
CIF file

HKL data

Formula: - C19 H15 Cl6 N O4 -
Comments: Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K. Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione [+solvent] Acta Crystallographica Section E 75(5) (2019) 562-564
Space group: I 41/a
Cell volume: 8989.4
Cell parameters: 29.625; 29.625; 10.2427; 90; 90; 90;  

COD ID: 2242885
CIF file

HKL data

Original IUCr paper

Formula: - C33 H44 Cu N6 O8 -
Comments: Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Arion, Vladimir B.; Lampeka, Yaroslaw D. Crystal structure of <i>trans</i>-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate Acta Crystallographica Section E 75(5) (2019) 533-536
Space group: P -1
Cell volume: 1640.06
Cell parameters: 9.8877; 12.1406; 14.576; 71.594; 81.128; 88.249;  

COD ID: 2242886
CIF file

HKL data

Original IUCr paper

Formula: - Cl2 H14 N2 O14 Sc2 -
Comments: Sears, Jeremiah; Cramer, Roger; Boyle, Timothy Crystal structure of hydroxy scandium nitrate chloride Acta Crystallographica Section E 75(5) (2019) 540-542
Space group: P -1
Cell volume: 383.87
Cell parameters: 6.7221; 7.6279; 8.5181; 100.904; 110.125; 102.329;  

COD ID: 2242887
CIF file

HKL data

Original IUCr paper

Formula: - C38 H50 N2 O7 -
Comments: Ivantcova, Polina M.; Sokolov, Mikhail N.; Kudryavtsev, Konstantin V.; Churakov, Andrei V. Crystal structure of 4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate Acta Crystallographica Section E 75(5) (2019) 537-539
Space group: P 21 21 21
Cell volume: 3453
Cell parameters: 10.993; 13.198; 23.799; 90; 90; 90;  

COD ID: 2242888
CIF file

HKL data

Original IUCr paper

Formula: - C32 H80 Cl6 Na10 O28 Pd2 S8 -
Comments: Thoelen, Felix; Frank, Walter Crystal engineering with short-chained amphiphiles: decasodium octa-<i>n</i>-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate, a layered inorganic‒organic hybrid material Acta Crystallographica Section E 75(5) (2019) 557-561
Space group: P 1 21/c 1
Cell volume: 3561.69
Cell parameters: 15.9049; 9.9047; 22.6734; 90; 94.315; 90;  

COD ID: 2242889
CIF file

HKL data

Original IUCr paper

Formula: - C11 H24 Cl N2 P -
Comments: Mecke, Erik; Frank, Walter Crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-1,3,2-diazaphosphorinane {-} a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long P^III^—Cl bond Acta Crystallographica Section E 75(5) (2019) 552-556
Space group: P 1 21/c 1
Cell volume: 1464.33
Cell parameters: 12.5954; 9.1549; 12.9614; 90; 101.547; 90;  

COD ID: 2242890
CIF file

HKL data

Original IUCr paper

Formula: - C4 H8 O4 S2 -
Comments: Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P. Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide Acta Crystallographica Section E 75(5) (2019) 576-579
Space group: C 1 2/m 1
Cell volume: 345.6
Cell parameters: 9.073; 7.077; 5.597; 90; 105.894; 90;  

COD ID: 2242891
CIF file

HKL data

Original IUCr paper

Formula: - C4 H8 O4 S2 -
Comments: Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P. Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide Acta Crystallographica Section E 75(5) (2019) 576-579
Space group: P 1 21/n 1
Cell volume: 341.84
Cell parameters: 7.1308; 5.7245; 8.376; 90; 91.138; 90;  

COD ID: 2242892
CIF file

HKL data

Original IUCr paper

Formula: - C10 H13 N3 O S -
Comments: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook (<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions Acta Crystallographica Section E 75(5) (2019) 571-575
Space group: I b a 2
Cell volume: 2285.4
Cell parameters: 14.6474; 17.522; 8.9048; 90; 90; 90;  

COD ID: 2242893
CIF file

HKL data

Original IUCr paper

Formula: - C28 H30 N8 O3 -
Comments: Asiri, Abdullah M.; Alzahrani, Khalid A. H.; Faidallah, Hassan M.; Alamry, Khalid A.; Jotani, Mukesh M.; Tiekink, Edward R. T. Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1<i>H</i>-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one 5-methyl-4-(5-methyl-1<i>H</i>-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-1-ide monohydrate Acta Crystallographica Section E 75(5) (2019) 565-570
Space group: P 1 21/c 1
Cell volume: 2547.9
Cell parameters: 11.7007; 7.0419; 31.2567; 90; 98.379; 90;  

COD ID: 2242894
CIF file

HKL data

Formula: - C20 H19 N3 O3 -
Comments: Faizi, Md. Serajul Haque; Sen, Pratik; Saxena, Gyanesh Kumar; Golenya, Irina A. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol Acta Crystallographica Section E 75(5) (2019) 600-603
Space group: P 1 21/c 1
Cell volume: 1720.2
Cell parameters: 18.451; 8.169; 11.591; 90; 100.059; 90;  

COD ID: 2242895
CIF file

HKL data

Original IUCr paper

Formula: - C3 H9 B12 Cl11 N Na O2 S -
Comments: Jenne, Carsten; van Lessen, Valentin Na^+^[Me~3~NB~12~Cl~11~]^{-^}·SO~2~: a rare example of a sodium‒SO~2~ complex Acta Crystallographica Section E 75(5) (2019) 607-610
Space group: P 21 21 21
Cell volume: 2308.18
Cell parameters: 9.1943; 12.9081; 19.4486; 90; 90; 90;  

COD ID: 2242896
CIF file

HKL data

Formula: - C14 H30 Cl Cr N3 O9 -
Comments: Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]chloridochromium(II) monohydrate Acta Crystallographica Section E 75(5) (2019) 604-606
Space group: P 1 21 1
Cell volume: 1079.77
Cell parameters: 8.2246; 15.1419; 8.6851; 90; 93.339; 90;  

COD ID: 2242897
CIF file

HKL data

Original IUCr paper

Formula: - C28 H37 N3 O13 -
Comments: Kato, Takuma; Kishimoto, Saki; Asano, Akiko; Doi, Mitsunobu Crystal structure of <i>N</i>-{<i>N</i>-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)-<small>L</small>-α-aspartyl]-<small>L</small>-α-aspartyl}-<small>L</small>-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester {Boc-[Asp(OMe)]~3~-OPac} Acta Crystallographica Section E 75(5) (2019) 585-588
Space group: P 1 21 1
Cell volume: 1514.49
Cell parameters: 17.7734; 4.97864; 18.7681; 90; 114.226; 90;  

COD ID: 2242898
CIF file

HKL data

Original IUCr paper

Formula: - C31 H31 N3 O5 S -
Comments: Gautier, Yohan; Maris, Thierry; Skene, W. G. Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate Acta Crystallographica Section E 75(5) (2019) 589-592
Space group: P -1
Cell volume: 1354.61
Cell parameters: 7.1314; 13.465; 15.4586; 106.533; 97.98; 102.843;  

COD ID: 2242899
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 Cl2 N2 O3 S -
Comments: Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; El Ghayati, Lhoussaine; Bouzian, Younes; Mague, Joel T.; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and DFT study of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one Acta Crystallographica Section E 75(5) (2019) 593-599
Space group: P 1 21/c 1
Cell volume: 1867.33
Cell parameters: 18.4615; 12.8567; 7.9251; 90; 96.926; 90;  

COD ID: 2242900
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 Cl2 -
Comments: Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T. 1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry Acta Crystallographica Section E 75(5) (2019) 623-630
Space group: C 1 2/c 1
Cell volume: 2463.1
Cell parameters: 26.6755; 9.3259; 10.0405; 90; 99.56; 90;  

COD ID: 2242901
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 Br2 -
Comments: Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T. 1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry Acta Crystallographica Section E 75(5) (2019) 623-630
Space group: P 1 21/c 1
Cell volume: 1225.71
Cell parameters: 10.8761; 7.5157; 15.6131; 90; 106.177; 90;  

COD ID: 2242902
CIF file

HKL data

Original IUCr paper

Formula: - C33 H40 N4 Ni3 O7 S3 -
Comments: Rusanova, Julia A.; Kokozay, Vladimir N.; Pokas, Olena V. Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate: crystal structure, spectroscopic characterization and antibacterial activity Acta Crystallographica Section E 75(5) (2019) 615-618
Space group: P b c a
Cell volume: 7123
Cell parameters: 20.396; 16.066; 21.738; 90; 90; 90;  

COD ID: 2242903
CIF file

HKL data

Original IUCr paper

Formula: - C36 H40 N4 Ni2 O8 -
Comments: Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W. Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand Acta Crystallographica Section E 75(5) (2019) 619-622
Space group: P b c a
Cell volume: 3359.87
Cell parameters: 10.2301; 15.2456; 21.5426; 90; 90; 90;  

COD ID: 2242904
CIF file

HKL data

Formula: - C18 H19 F N2 O -
Comments: Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole Acta Crystallographica Section E 75(5) (2019) 611-615
Space group: P 1 21/c 1
Cell volume: 1433.59
Cell parameters: 18.2525; 7.07855; 11.2207; 90; 98.556; 90;  

COD ID: 2242905
CIF file

HKL data

Formula: - C18 H19 Cl N2 O -
Comments: Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole Acta Crystallographica Section E 75(5) (2019) 611-615
Space group: P 1 21/n 1
Cell volume: 1514.82
Cell parameters: 13.08241; 6.49259; 18.5129; 90; 105.561; 90;  

COD ID: 2242906
CIF file

HKL data

Original IUCr paper

Formula: - C18 H12 O3 S2 -
Comments: Anizaim, Ainizatul Husna; Zaini, Muhamad Fikri; Laruna, Muhammad Adlan; Razak, Ibrahim Abdul; Arshad, Suhana (<i>E</i>)-1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-3-([2,2'-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV‒Vis analysis and theoretical studies of a new π-conjugated chalcone Acta Crystallographica Section E 75(5) (2019) 632-637
Space group: P 1 21/c 1
Cell volume: 1537.1
Cell parameters: 6.03; 24.875; 11.239; 90; 114.249; 90;  

COD ID: 2242907
CIF file

HKL data

Original IUCr paper

Formula: - C19 H16 N4 O -
Comments: El Hafi, Mohamed; Kansiz, Sevgi; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T. Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine Acta Crystallographica Section E 75(5) (2019) 638-641
Space group: P 1 21/n 1
Cell volume: 1578.51
Cell parameters: 6.5227; 7.8979; 30.7774; 90; 95.389; 90;  

COD ID: 2242908
CIF file

HKL data

Original IUCr paper

Formula: - C18 H24 N2 O6 -
Comments: Faizi, Md. Serajul Haque; Kamaal, Saima; Ali, Arif; Ahmad, Musheer; Golenya, Irina A. Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate Acta Crystallographica Section E 75(5) (2019) 646-649
Space group: P b c a
Cell volume: 3570.1
Cell parameters: 11.5504; 13.8047; 22.3899; 90; 90; 90;  

COD ID: 2242909
CIF file

HKL data

Original IUCr paper

Formula: - C18 H18 N4 O2 S2 -
Comments: Samb, Issa; Gaye, Nango; Sylla-Gueye, Rokhaya; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Retailleau, Pascal Crystal structure of <i>N</i>,<i>N</i>'-[(ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide) Acta Crystallographica Section E 75(5) (2019) 642-645
Space group: P 1 21/c 1
Cell volume: 890.55
Cell parameters: 11.225; 7.2547; 11.1397; 90; 100.978; 90;  

COD ID: 2242910
CIF file

HKL data

Original IUCr paper

Formula: - C17 H12 Cl2 N2 O -
Comments: El Kali, Fouad; Kansiz, Sevgi; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one Acta Crystallographica Section E 75(5) (2019) 650-654
Space group: P 1 21/c 1
Cell volume: 1546
Cell parameters: 5.8511; 12.5544; 21.069; 90; 92.666; 90;  

COD ID: 2242911
CIF file

HKL data

Original IUCr paper

Formula: - C16 H15 Br F N3 S -
Comments: Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Huseynova, Afet T. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide Acta Crystallographica Section E 75(5) (2019) 662-666
Space group: P -1
Cell volume: 817.39
Cell parameters: 8.0599; 8.6086; 12.7608; 96.548; 92.518; 111.065;  

COD ID: 2242912
CIF file

HKL data

Original IUCr paper

Formula: - C16 H14 Cl N3 O S -
Comments: Zatsu, Ruokuosenuo; Maddela, Prabhakar; Indira Devi, M.; Singh, Ranjit; Pradeep, Chullikkattil P. Crystal structure and Hirshfeld surface analysis of <i>rac</i>-2-[2-(4-chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-ylidene]hydrazine-1-carbothioamide Acta Crystallographica Section E 75(5) (2019) 707-710
Space group: P -1
Cell volume: 789.67
Cell parameters: 7.8218; 8.4207; 12.3402; 99.838; 95.771; 96.515;  

COD ID: 2242913
CIF file

HKL data

Original IUCr paper

Formula: - C5 H5 Br2 N Se -
Comments: Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N. Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1<i>H</i>-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3a<i>SR</i>,9a<i>RS</i>)-2,3,3a,9a-tetrahydro-1<i>H</i>-cyclopenta[4,5][1,3]selenazolo[3,2-<i>a</i>]pyridinium bromide Acta Crystallographica Section E 75(5) (2019) 675-679
Space group: P 1 21/c 1
Cell volume: 808.36
Cell parameters: 8.0971; 12.6116; 8.7325; 90; 114.975; 90;  

COD ID: 2242914
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 Br N Se -
Comments: Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N. Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1<i>H</i>-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3a<i>SR</i>,9a<i>RS</i>)-2,3,3a,9a-tetrahydro-1<i>H</i>-cyclopenta[4,5][1,3]selenazolo[3,2-<i>a</i>]pyridinium bromide Acta Crystallographica Section E 75(5) (2019) 675-679
Space group: P -1
Cell volume: 508.35
Cell parameters: 6.3333; 9.0515; 9.5807; 111.35; 93.657; 93.543;  

COD ID: 2242915
CIF file

HKL data

Formula: - C23 H15 N O3 -
Comments: Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana Crystal structure and optical properties of fused-ring chalcone (<i>E</i>)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one Acta Crystallographica Section E 75(5) (2019) 685-689
Space group: P 1 21/c 1
Cell volume: 1706.3
Cell parameters: 10.8204; 3.9364; 40.42; 90; 97.651; 90;  

COD ID: 2242916
CIF file

HKL data

Original IUCr paper

Formula: - C24 H16 B2 O S2 -
Comments: Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene) Acta Crystallographica Section E 75(5) (2019) 690-694
Space group: P 1 21 1
Cell volume: 3935
Cell parameters: 13.2989; 12.7097; 23.33; 90; 93.727; 90;  

COD ID: 2242917
CIF file

HKL data

Original IUCr paper

Formula: - C24 H16 B2 O S2 -
Comments: Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene) Acta Crystallographica Section E 75(5) (2019) 690-694
Space group: P 1 21/c 1
Cell volume: 3907.7
Cell parameters: 23.2471; 12.5949; 13.3561; 90; 92.217; 90;  

COD ID: 2242918
CIF file

HKL data

Formula: - C19 H29 N9 O12.5 V -
Comments: Sehimi, Hiba; Akitsu, Takashiro; Zid, Mohamed Faouzi Synthesis and structural study of tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate Acta Crystallographica Section E 75(5) (2019) 680-684
Space group: C 1 2/c 1
Cell volume: 5498
Cell parameters: 38.972; 7.5746; 20.8208; 90; 116.551; 90;  

COD ID: 2242919
CIF file

HKL data

Original IUCr paper

Formula: - C8 H12 N6 O2 S -
Comments: Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed Crystal structures of 4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide Acta Crystallographica Section E 75(5) (2019) 695-699
Space group: P -1
Cell volume: 562.9
Cell parameters: 5.4252; 9.83; 11.137; 74.636; 83.418; 80.255;  

COD ID: 2242920
CIF file

HKL data

Formula: - C8 H11 N9 O2 S -
Comments: Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed Crystal structures of 4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide Acta Crystallographica Section E 75(5) (2019) 695-699
Space group: P -1
Cell volume: 660.6
Cell parameters: 6.6151; 9.563; 11.634; 108.645; 105.994; 93.828;  

COD ID: 2242921
CIF file

HKL data

Original IUCr paper

Formula: - C8 Br4 N2 -
Comments: Noland, Wayland E.; Schneerer, Andrew K.; Raberge, Emilie J.; Tritch, Kenneth J. Crystal structure of 2,3,5,6-tetrabromoterephthalodinitrile Acta Crystallographica Section E 75(5) (2019) 703-706
Space group: C 1 2/m 1
Cell volume: 521.33
Cell parameters: 7.85; 9.833; 6.754; 90; 90.202; 90;  

COD ID: 2242922
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 N4 O3 -
Comments: Moreira, Olívia B. O.; Freitas, Maria Clara R.; Souza, Karynne C.; Jordão, Alessandro K.; Resende, Jackson A. L. C. Crystal structure of 1-anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid monohydrate Acta Crystallographica Section E 75(6) (2019) 738-741
Space group: P 1 21/c 1
Cell volume: 1166.9
Cell parameters: 7.2288; 6.8265; 23.922; 90; 98.69; 90;  

COD ID: 2242923
CIF file

HKL data

Original IUCr paper

Formula: - C54 H162 Al2 Cl2 K2 O6 Si24 -
Comments: Purdy, Andrew P.; Butcher, Raymond J. Potassium chloridotris(hypersiloxy)aluminate dimer Acta Crystallographica Section E 75(6) (2019) 714-716
Space group: P 1 21/n 1
Cell volume: 5474.14
Cell parameters: 18.8247; 13.885; 22.2056; 90; 109.413; 90;  

COD ID: 2242924
CIF file

HKL data

Original IUCr paper

Formula: - C10 H9 Cl N4 O -
Comments: Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F. Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol Acta Crystallographica Section E 75(6) (2019) 732-737
Space group: P 1 21/c 1
Cell volume: 1010.63
Cell parameters: 11.9736; 6.8854; 12.2746; 90; 92.938; 90;  

COD ID: 2242925
CIF file

HKL data

Original IUCr paper

Formula: - C10 H13 Cl N4 O -
Comments: Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F. Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol Acta Crystallographica Section E 75(6) (2019) 732-737
Space group: P -1
Cell volume: 537.15
Cell parameters: 6.1101; 8.6075; 11.0083; 68.957; 83.799; 87.189;  

COD ID: 2242926
CIF file

Original IUCr paper

Formula: - C10 H11 Cl N4 O -
Comments: Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F. Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol Acta Crystallographica Section E 75(6) (2019) 732-737
Space group: P 1 21/n 1
Cell volume: 1069.81
Cell parameters: 12.7276; 5.9725; 14.819; 90; 108.25; 90;  

COD ID: 2242927
CIF file

Original IUCr paper

Formula: - C22 H24 N2 O12 -
Comments: Sylvester, Eric; McGovern, Mitchell; Young Lee, An; Nguyen, Phanxico; Park, Jungeun; Benedict, Jason B. Partial charge transfer in the salt co-crystal of <small>L</small>-ascorbic acid and 4,4'-bipyridine Acta Crystallographica Section E 75(6) (2019) 728-731
Space group: P 1 21 1
Cell volume: 1066.9
Cell parameters: 4.7724; 14.4069; 15.6857; 90; 98.393; 90;  

COD ID: 2242928
CIF file

HKL data

Original IUCr paper

Formula: - C18 H12 Cl2 N2 O S -
Comments: Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Jaouhar, Abdelhakim; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2<i>Z</i>)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl}propanenitrile Acta Crystallographica Section E 75(6) (2019) 721-727
Space group: P -1
Cell volume: 799.54
Cell parameters: 6.5687; 7.9971; 15.4939; 98.105; 94.316; 95.002;  

COD ID: 2242929
CIF file

HKL data

Original IUCr paper

Formula: - C11 H9 I N2 O S -
Comments: Herrera-España, Angel D.; Aguilera-González, Jesús; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David Crystal structure and Hirshfeld surface analysis of <i>N</i>-(5-iodo-4-phenylthiazol-2-yl)acetamide Acta Crystallographica Section E 75(6) (2019) 717-720
Space group: P 1 21/c 1
Cell volume: 2424.61
Cell parameters: 17.413; 7.5325; 18.5443; 90; 94.567; 90;  

COD ID: 2242930
CIF file

HKL data

Original IUCr paper

Formula: - C24 H24 N2 O6 -
Comments: Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin Crystal structure of dimethyl <i>N</i>,<i>N</i>'-[(ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(<small>L</small>-alaninate) Acta Crystallographica Section E 75(6) (2019) 751-754
Space group: P 1 21 1
Cell volume: 1106.33
Cell parameters: 4.9409; 39.015; 5.8447; 90; 100.905; 90;  

COD ID: 2242931
CIF file

HKL data

Formula: - C14 H10 N4 O -
Comments: Cati, Dilovan S.; Stoeckli-Evans, Helen The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex Acta Crystallographica Section E 75(6) (2019) 755-761
Space group: C 1 c 1
Cell volume: 3500.1
Cell parameters: 11.5047; 23.41; 13.4115; 90; 104.305; 90;  

COD ID: 2242932
CIF file

HKL data

Formula: - C44 H52 Cu4 N8 O18 -
Comments: Cati, Dilovan S.; Stoeckli-Evans, Helen The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex Acta Crystallographica Section E 75(6) (2019) 755-761
Space group: P -1
Cell volume: 1247.11
Cell parameters: 8.1485; 11.2132; 14.2662; 98.352; 93.668; 103.578;  

COD ID: 2242933
CIF file

HKL data

Original IUCr paper

Formula: - C17 H12 Br2 O -
Comments: Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A. Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1<i>E</i>,4<i>E</i>)-1,5-bis(4-bromophenyl)penta-1,4-dien-3-one Acta Crystallographica Section E 75(6) (2019) 774-779
Space group: P 1 21/c 1
Cell volume: 1418.63
Cell parameters: 17.592; 14.0777; 5.7956; 90; 98.742; 90;  

COD ID: 2242934
CIF file

HKL data

Original IUCr paper

Formula: - C20 H20 O -
Comments: Baydere, Cemile; Taşçı, Merve; Dege, Necmi; Arslan, Mustafa; Atalay, Yusuf; Golenya, Irina A. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one Acta Crystallographica Section E 75(6) (2019) 746-750
Space group: P -1
Cell volume: 795.2
Cell parameters: 8.728; 8.757; 12.094; 77.768; 80.822; 61.929;  

COD ID: 2242935
CIF file

HKL data

Formula: - C14 H10.5 Cl N4.5 O5 -
Comments: Dege, Necmi; Faizi, Md. Serajul Haque; Doğan, Onur Erman; Ağar, Erbil; Golenya, Irina A. Crystal structure and DFT study of (<i>E</i>)-2-chloro-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate Acta Crystallographica Section E 75(6) (2019) 770-773
Space group: C 1 2/c 1
Cell volume: 3077.2
Cell parameters: 12.0614; 9.696; 26.688; 90; 99.619; 90;  

COD ID: 2242936
CIF file

HKL data

Original IUCr paper

Formula: - C23 H18 N4 O2 S -
Comments: Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A. Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate Acta Crystallographica Section E 75(6) (2019) 780-784
Space group: P n a 21
Cell volume: 2124.5
Cell parameters: 20.9154; 11.4208; 8.8938; 90; 90; 90;  

COD ID: 2242937
CIF file

HKL data

Original IUCr paper

Formula: - C21 H20 Cl Cu N5 O6 -
Comments: Cioncoloni, Giacomo; Wilson, Claire; Roger, Isolda; Symes, Mark D. Crystal structure of <i>catena</i>-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate] Acta Crystallographica Section E 75(6) (2019) 789-793
Space group: P 1 21 1
Cell volume: 1133.2
Cell parameters: 9.32; 9.974; 12.949; 90; 109.71; 90;  

COD ID: 2242938
CIF file

HKL data

Original IUCr paper

Formula: - C15 H15 N O2 -
Comments: Kansiz, Sevgi; Aydin, Alev Sema; Dege, Necmi; Agar, Erbil; Fritsky, Igor O. Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one Acta Crystallographica Section E 75(6) (2019) 785-788
Space group: P 1 21/c 1
Cell volume: 1240.6
Cell parameters: 11.3954; 11.746; 10.3067; 90; 115.94; 90;  

COD ID: 2242939
CIF file

HKL data

Original IUCr paper

Formula: - C14 H15 N3 O4 -
Comments: Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Balasubramani, Kasthuri; Premkumar, Ganesan; Swu, Toka Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (<i>E</i>)-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate Acta Crystallographica Section E 75(6) (2019) 804-807
Space group: P 1 21/c 1
Cell volume: 1377.64
Cell parameters: 7.1153; 11.0075; 18.2771; 90; 105.766; 90;  

COD ID: 2242940
CIF file

HKL data

Original IUCr paper

Formula: - C15 H13 Br O2 S -
Comments: Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T. 2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry Acta Crystallographica Section E 75(6) (2019) 816-822
Space group: P c a 21
Cell volume: 1427.35
Cell parameters: 18.0683; 8.019; 9.8513; 90; 90; 90;  

COD ID: 2242941
CIF file

HKL data

Formula: - C12 H20 Cd2 Cl6 N6 O4 -
Comments: Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)] Acta Crystallographica Section E 75(6) (2019) 823-825
Space group: P 1
Cell volume: 575.54
Cell parameters: 7.154; 8.2591; 10.4459; 108.502; 97.499; 94.512;  

COD ID: 2242942
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 N2 O4 -
Comments: Kansiz, Sevgi; Dege, Necmi; Aydin, Alev Sema; Ağar, Erbil; Matushko, Igor P. Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-6-[(2-hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one Acta Crystallographica Section E 75(6) (2019) 812-815
Space group: P 1 21/n 1
Cell volume: 1235.07
Cell parameters: 6.0052; 7.8206; 26.2985; 90; 90.303; 90;  

COD ID: 2242943
CIF file

HKL data

Original IUCr paper

Formula: - C25 H20 -
Comments: Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J. Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes Acta Crystallographica Section E 75(6) (2019) 838-842
Space group: C 1 2/c 1
Cell volume: 3574
Cell parameters: 29.23; 5.8; 22.071; 90; 107.248; 90;  

COD ID: 2242944
CIF file

HKL data

Original IUCr paper

Formula: - C25 H20 -
Comments: Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J. Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes Acta Crystallographica Section E 75(6) (2019) 838-842
Space group: P 1 21/c 1
Cell volume: 1740.9
Cell parameters: 19.208; 5.8774; 16.1884; 90; 107.71; 90;  

COD ID: 2242945
CIF file

HKL data

Original IUCr paper

Formula: - C27 H24 -
Comments: Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J. Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes Acta Crystallographica Section E 75(6) (2019) 838-842
Space group: P c a 21
Cell volume: 3961.4
Cell parameters: 30.031; 5.6147; 23.494; 90; 90; 90;  

COD ID: 2242946
CIF file

HKL data

Original IUCr paper

Formula: - C29 H28 -
Comments: Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J. Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes Acta Crystallographica Section E 75(6) (2019) 838-842
Space group: C 1 2/c 1
Cell volume: 4228.9
Cell parameters: 30.987; 5.8273; 23.557; 90; 96.192; 90;  

COD ID: 2242947
CIF file

HKL data

Original IUCr paper

Formula: - C9 H11 N O2 -
Comments: Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O. Hirshfeld surface analysis and crystal structure of <i>N</i>-(2-methoxyphenyl)acetamide Acta Crystallographica Section E 75(6) (2019) 830-833
Space group: P b c a
Cell volume: 1786.2
Cell parameters: 9.5115; 18.7385; 10.0216; 90; 90; 90;  

COD ID: 2242948
CIF file

HKL data

Original IUCr paper

Formula: - C10 H13 N O -
Comments: Rigin, Sergei; Armijo, Beatrice; Krivoshein, Arcadius V.; Fonari, Marina; Timofeeva, Tatiana Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2-phenylbutyramide Acta Crystallographica Section E 75(6) (2019) 826-829
Space group: P 1 21/c 1
Cell volume: 883.7
Cell parameters: 8.575; 10.746; 9.798; 90; 101.811; 90;  

COD ID: 2242949
CIF file

HKL data

Original IUCr paper

Formula: - C16 H15 Cl N2 O3 -
Comments: Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher The crystal structure of (<i>RS</i>)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one: two hydrogen bonds generate an elegant three-dimensional framework structure Acta Crystallographica Section E 75(6) (2019) 843-847
Space group: I 41/a
Cell volume: 6036
Cell parameters: 15.314; 15.314; 25.736; 90; 90; 90;  

COD ID: 2242950
CIF file

HKL data

Original IUCr paper

Formula: - C35 H35 Cu N11 O10 -
Comments: Marten, Jan; Seichter, Wilhelm; Weber, Edwin Crystal structure of (<i>N</i>,<i>N</i>'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1) Acta Crystallographica Section E 75(6) (2019) 834-837
Space group: P b c a
Cell volume: 7282.5
Cell parameters: 15.582; 20.0517; 23.3082; 90; 90; 90;  

COD ID: 2242951
CIF file

HKL data

Original IUCr paper

Formula: - C19 H18 N2 O6 -
Comments: Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate Acta Crystallographica Section E 75(6) (2019) 880-887
Space group: P -1
Cell volume: 886.3
Cell parameters: 9.442; 9.558; 11.419; 110.58; 95.669; 108.863;  

COD ID: 2242952
CIF file

HKL data

Original IUCr paper

Formula: - C18 H16 N2 O7 -
Comments: Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate Acta Crystallographica Section E 75(6) (2019) 880-887
Space group: P 1 21/c 1
Cell volume: 1738.6
Cell parameters: 10.263; 9.086; 20.049; 90; 111.577; 90;  

COD ID: 2242953
CIF file

HKL data

Formula: - C27 H37 N O3 -
Comments: Sales, Eric S.; Bortoluzzi, Adailton J.; Merlo, Aloir A. Crystal structure of 5-(4-<i>tert</i>-butoxyphenyl)-3-(4-<i>n</i>-octyloxyphenyl)-4,5-dihydroisoxazole Acta Crystallographica Section E 75(6) (2019) 896-899
Space group: P -1
Cell volume: 1213.02
Cell parameters: 5.8493; 10.7773; 19.3201; 92.325; 91.806; 94.145;  

COD ID: 2242954
CIF file

HKL data

Original IUCr paper

Formula: - C3 H4 O3 -
Comments: Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I. Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid Acta Crystallographica Section E 75(6) (2019) 858-862
Space group: P 1 21/c 1
Cell volume: 376.45
Cell parameters: 10.7486; 5.1925; 6.8302; 90; 99.063; 90;  

COD ID: 2242955
CIF file

HKL data

Original IUCr paper

Formula: - C6 H6 O5 -
Comments: Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I. Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid Acta Crystallographica Section E 75(6) (2019) 858-862
Space group: C 1 2/c 1
Cell volume: 1378.9
Cell parameters: 24.145; 6.6523; 8.6201; 90; 95.169; 90;  

COD ID: 2242956
CIF file

HKL data

Original IUCr paper

Formula: - C12 H20 S5 -
Comments: Hofstetter, Robert; Elvers, Benedict J.; Potlitz, Felix; Link, Andreas; Schulzke, Carola Crystal structure of 7,8,15,16,17-pentathiadispiro[5.2.5^9^.3^6^]heptadecane Acta Crystallographica Section E 75(6) (2019) 888-891
Space group: P 1 21/c 1
Cell volume: 1472.6
Cell parameters: 9.4174; 9.97; 15.877; 90; 98.94; 90;  

COD ID: 2242957
CIF file

HKL data

Original IUCr paper

Formula: - C24 H22 O6 -
Comments: Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) Acta Crystallographica Section E 75(6) (2019) 875-879
Space group: C 1 2/c 1
Cell volume: 2082.54
Cell parameters: 11.7026; 14.6628; 12.7512; 90; 107.863; 90;  

COD ID: 2242958
CIF file

HKL data

Original IUCr paper

Formula: - C24 H22 O6 -
Comments: Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) Acta Crystallographica Section E 75(6) (2019) 875-879
Space group: P 1 21/c 1
Cell volume: 1000.12
Cell parameters: 12.6668; 7.747; 10.4244; 90; 102.126; 90;  

COD ID: 2242959
CIF file

HKL data

Original IUCr paper

Formula: - C14 H14 O6 -
Comments: Hoshide, Mitsutoshi; Masu, Hyuma; Sasanuma, Yuji Crystal structure of butane-1,4-diyl bis(furan-2-carboxylate) Acta Crystallographica Section E 75(6) (2019) 872-874
Space group: C 1 2/c 1
Cell volume: 1430.2
Cell parameters: 16.1298; 7.8773; 13.5247; 90; 123.67; 90;  

COD ID: 2242960
CIF file

HKL data

Original IUCr paper

Formula: - C13 H26 O10 -
Comments: Eriksson, Lars; Widmalm, Göran Crystal structure of methyl α-<small>L</small>-rhamnopyranosyl-(1ρightarrow 2)-α-<small>L</small>-rhamnopyranoside monohydrate Acta Crystallographica Section E 75(6) (2019) 854-857
Space group: P 1 21 1
Cell volume: 3321
Cell parameters: 13.936; 15.501; 15.988; 90; 105.92; 90;  

COD ID: 2242961
CIF file

HKL data

Original IUCr paper

Formula: - C21 H19 Cl N2 O3 -
Comments: El Kalai, Fouad; Baydere, Cemile; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate Acta Crystallographica Section E 75(6) (2019) 892-895
Space group: P -1
Cell volume: 949.6
Cell parameters: 8.841; 10.3043; 11.361; 94.801; 103.596; 106.905;  

COD ID: 2242962
CIF file

HKL data

Original IUCr paper

Formula: - C32 H40 N4 O8 -
Comments: Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Bis(4-acetoxy-<i>N</i>,<i>N</i>-dimethyltryptammonium) fumarate: a new crystalline form of psilacetin, an alternative to psilocybin as a psilocin prodrug Acta Crystallographica Section E 75(6) (2019) 900-902
Space group: P -1
Cell volume: 784.2
Cell parameters: 8.3965; 8.9879; 12.0126; 101.73; 100.818; 112.463;  

COD ID: 2242963
CIF file

HKL data

Formula: - C22 H22 N2 O4 S2 -
Comments: Park, Juhyeon; Lee, Seung Heon; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho Crystal structure of <i>N</i>,<i>N</i>'-bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide Acta Crystallographica Section E 75(6) (2019) 934-938
Space group: P 1 21/c 1
Cell volume: 989.99
Cell parameters: 8.05; 4.9407; 24.9626; 90; 94.333; 90;  

COD ID: 2242964
CIF file

HKL data

Original IUCr paper

Formula: - C22 H50 N6 O8 -
Comments: Moon, Dohyun; Jeon, Sunghwan; Ryoo, Keon Sang; Choi, Jong-Ha Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dinitrate dihydrate from synchrotron X-ray data Acta Crystallographica Section E 75(6) (2019) 921-924
Space group: P 1 21/c 1
Cell volume: 1394.8
Cell parameters: 8.642; 16.687; 9.734; 90; 96.46; 90;  

COD ID: 2242965
CIF file

HKL data

Original IUCr paper

Formula: - C53 H36 Cl6 N4 Ni O4 -
Comments: Peters, Morten K.; Näther, Christian; Herges, Rainer Crystal structure of 2^10^,2^20^-bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate Acta Crystallographica Section E 75(6) (2019) 925-929
Space group: P 1 21/c 1
Cell volume: 9356
Cell parameters: 15.4185; 24.9658; 24.3053; 90; 90.039; 90;  

COD ID: 2242966
CIF file

HKL data

Original IUCr paper

Formula: - C50 H36 Fe N6 O4 S2 -
Comments: Wellm, Carsten; Näther, Christian Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II) Acta Crystallographica Section E 75(6) (2019) 917-920
Space group: P 1 21/c 1
Cell volume: 2139.5
Cell parameters: 9.061; 20.9844; 11.2527; 90; 90.526; 90;  

COD ID: 2242967
CIF file

HKL data

Original IUCr paper

Formula: - C14 H14 Cl N O3 -
Comments: Bouzian, Younos; Karrouchi, Khalid; Anouar, El Hassane; Bouhfid, Rachid; Arshad, Suhana; Essassi, El Mokhtar Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate Acta Crystallographica Section E 75(6) (2019) 912-916
Space group: C 1 2/c 1
Cell volume: 2783.9
Cell parameters: 14.2634; 16.0124; 13.7732; 90; 117.748; 90;  

COD ID: 2242968
CIF file

HKL data

Original IUCr paper

Formula: - C20 H25 N O3 S -
Comments: McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim; Wickramasinhage, Ravindra N. Structure and Hirshfeld surface analysis of the salt <i>N</i>,<i>N</i>,<i>N</i>-trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate Acta Crystallographica Section E 75(7) (2019) 946-950
Space group: P 21 21 21
Cell volume: 1864.98
Cell parameters: 8.3344; 10.5937; 21.1228; 90; 90; 90;  

COD ID: 2242969
CIF file

HKL data

Original IUCr paper

Formula: - C17 H14 Cl F O3 -
Comments: Çelikesir, Sevim Türktekin; Sheshadri, S. N.; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K. Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(4-chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one Acta Crystallographica Section E 75(7) (2019) 942-945
Space group: P 1 21/n 1
Cell volume: 1490.7
Cell parameters: 14.9088; 5.7669; 17.9074; 90; 104.491; 90;  

COD ID: 2242970
CIF file

HKL data

Original IUCr paper

Formula: - C13 H10 O2 S -
Comments: Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures Acta Crystallographica Section E 75(7) (2019) 957-963
Space group: P b c a
Cell volume: 2281.69
Cell parameters: 11.0808; 9.0251; 22.8157; 90; 90; 90;  

COD ID: 2242971
CIF file

HKL data

Formula: - C14 H12 O2 S -
Comments: Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures Acta Crystallographica Section E 75(7) (2019) 957-963
Space group: P 1 21/c 1
Cell volume: 1201.98
Cell parameters: 16.4118; 5.8387; 12.6456; 90; 97.279; 90;  

COD ID: 2242972
CIF file

HKL data

Formula: - C15 H14 O2 S -
Comments: Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures Acta Crystallographica Section E 75(7) (2019) 957-963
Space group: P 1 21/c 1
Cell volume: 1339.11
Cell parameters: 16.512; 7.7851; 10.4913; 90; 96.813; 90;  

COD ID: 2242973
CIF file

HKL data

Formula: - C13 H9 Br O S -
Comments: Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures Acta Crystallographica Section E 75(7) (2019) 957-963
Space group: P 1 21/c 1
Cell volume: 1167.94
Cell parameters: 14.1245; 14.2016; 5.8809; 90; 98.081; 90;  

COD ID: 2242974
CIF file

HKL data

Original IUCr paper

Formula: - C21 H16 N2 O2 -
Comments: Ghandour, Ismail; Bouayad, Abdelouahed; Hökelek, Tuncer; Haoudi, Amal; Capet, Frédéric; Renard, Catherine; Kandri Rodi, Youssef Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione Acta Crystallographica Section E 75(7) (2019) 951-956
Space group: P 1 21 1
Cell volume: 874.7
Cell parameters: 10.144; 7.952; 10.928; 90; 97.104; 90;  

COD ID: 2242975
CIF file

HKL data

Formula: - C16 H12 Cl N3 -
Comments: Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline Acta Crystallographica Section E 75(7) (2019) 964-968
Space group: C 1 c 1
Cell volume: 1359.01
Cell parameters: 6.2114; 19.4553; 11.252; 90; 91.883; 90;  

COD ID: 2242976
CIF file Formula: - C12 H11 N O -
Comments: Barbero, Mauro; Mossotti, Matteo; Sironi, Angelo; Giovenzana, Giovanni Battista; Colombo, Valentina Crystal structure of pirfenidone (5-methyl-1-phenyl-1<i>H</i>-pyridin-2-one): an active pharmaceutical ingredient (API) Acta Crystallographica Section E 75(7) (2019) 984-986
Space group: P 1 21 1
Cell volume: 484.7
Cell parameters: 6.2525; 7.797; 10.281; 90; 104.744; 90;  

COD ID: 2242977
CIF file

HKL data

Original IUCr paper

Formula: - C28 H44 Cu2 N4 O19 -
Comments: Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-tartrato(4{-})]dicopper(II) octahydrate Acta Crystallographica Section E 75(7) (2019) 972-975
Space group: P 1 21 1
Cell volume: 1766.88
Cell parameters: 8.5134; 23.7812; 8.9028; 90; 101.401; 90;  

COD ID: 2242978
CIF file

HKL data

Formula: - C24 H19 N O3 -
Comments: Bouzian, Younos; Faizi, Md. Serajul Haque; Mague, Joel T.; Otmani, Bouchaib El; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate Acta Crystallographica Section E 75(7) (2019) 980-983
Space group: P 1 21/n 1
Cell volume: 1881
Cell parameters: 5.6101; 19.5523; 17.2761; 90; 96.969; 90;  

COD ID: 2242979
CIF file

HKL data

Original IUCr paper

Formula: - C36 H34 N2 O4 P2 -
Comments: VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M. Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds Acta Crystallographica Section E 75(7) (2019) 991-996
Space group: C 1 2/c 1
Cell volume: 3140.9
Cell parameters: 13.0352; 14.1348; 17.0471; 90; 90.217; 90;  

COD ID: 2242980
CIF file

HKL data

Original IUCr paper

Formula: - C14 H30 N2 O8 P2 -
Comments: VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M. Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds Acta Crystallographica Section E 75(7) (2019) 991-996
Space group: P b c a
Cell volume: 2117.13
Cell parameters: 8.9401; 15.0535; 15.7314; 90; 90; 90;  

COD ID: 2242981
CIF file

HKL data

Original IUCr paper

Formula: - C15 H12 N2 O2 -
Comments: Faizi, Md. Serajul Haque; Dege, Necmi; Çiçek, Ceren; Agar, Erbil; Fritsky, Igor O. Crystal structure, DFT and MEP study of (<i>E</i>)-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile Acta Crystallographica Section E 75(7) (2019) 987-990
Space group: P 1 21/n 1
Cell volume: 2552
Cell parameters: 14.3173; 13.0633; 14.545; 90; 110.264; 90;  

COD ID: 2242982
CIF file

HKL data

Formula: - C22 H16 Br Cl6 N O3 P Re -
Comments: Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés Crystal structures and Hirshfeld surface analysis of [κ^2^-<i>P</i>,<i>N</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [<i>P</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br] Acta Crystallographica Section E 75(7) (2019) 1005-1010
Space group: P 1 21/c 1
Cell volume: 2836.9
Cell parameters: 14.194; 12.314; 16.249; 90; 92.701; 90;  

COD ID: 2242983
CIF file

HKL data

Formula: - C25 H25 Br N2 O3 P Re -
Comments: Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés Crystal structures and Hirshfeld surface analysis of [κ^2^-<i>P</i>,<i>N</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [<i>P</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br] Acta Crystallographica Section E 75(7) (2019) 1005-1010
Space group: P -1
Cell volume: 1304.5
Cell parameters: 9.1384; 9.8348; 15.671; 82.956; 82.047; 69.765;  

COD ID: 2242984
CIF file

HKL data

Original IUCr paper

Formula: - C14 H10 Cl F N2 O S -
Comments: Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and <i>N</i>-(4-bromophenylcarbamothioyl)-4-fluorobenzamide Acta Crystallographica Section E 75(7) (2019) 1026-1029
Space group: P 1 21/c 1
Cell volume: 1312.36
Cell parameters: 8.0785; 12.423; 13.0772; 90; 90.551; 90;  

COD ID: 2242985
CIF file

HKL data

Original IUCr paper

Formula: - C14 H10 Br F N2 O S -
Comments: Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and <i>N</i>-(4-bromophenylcarbamothioyl)-4-fluorobenzamide Acta Crystallographica Section E 75(7) (2019) 1026-1029
Space group: P -1
Cell volume: 658.54
Cell parameters: 3.8733; 13.0776; 13.2628; 98.817; 94.714; 94.727;  

COD ID: 2242986
CIF file

HKL data

Original IUCr paper

Formula: - C26 H20 N10 Ni O4 S2 -
Comments: Rhoufal, Ferdaousse; Bentiss, Fouad; Guesmi, Salaheddine; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of <i>trans</i>-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) Acta Crystallographica Section E 75(7) (2019) 1046-1050
Space group: P 1 21/c 1
Cell volume: 1453.81
Cell parameters: 8.5395; 20.7595; 8.6686; 90; 108.908; 90;  

COD ID: 2242987
CIF file

HKL data

Formula: - C23 H22 O2 -
Comments: Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E. (1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone Acta Crystallographica Section E 75(7) (2019) 1035-1040
Space group: P b c a
Cell volume: 3485.3
Cell parameters: 16.9915; 9.3183; 22.0129; 90; 90; 90;  

COD ID: 2242988
CIF file

HKL data

Formula: - C24 H24 O3 -
Comments: Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E. (1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone Acta Crystallographica Section E 75(7) (2019) 1035-1040
Space group: P -1
Cell volume: 2867.3
Cell parameters: 11.4136; 14.0145; 19.0339; 92.3394; 101.546; 105.013;  

COD ID: 2242989
CIF file

HKL data

Formula: - C25 H19 F N2 O2 -
Comments: Daoui, Said; Faizi, Md. Serajul Haque; Kalai, Fouad El; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2<i>H</i>)-one Acta Crystallographica Section E 75(7) (2019) 1030-1034
Space group: P -1
Cell volume: 1963.4
Cell parameters: 5.0575; 10.0973; 38.608; 86.237; 86.675; 88.354;  

COD ID: 2242990
CIF file

HKL data

Original IUCr paper

Formula: - C24 H39 Cu N5 O7 -
Comments: Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D. Crystal structures of <i>trans</i>-diaqua(3-<i>R</i>-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (<i>R</i> = benzyl or pyridin-3-ylmethyl) Acta Crystallographica Section E 75(7) (2019) 1015-1019
Space group: P 1 21/n 1
Cell volume: 2734.34
Cell parameters: 7.2625; 17.8132; 21.1511; 90; 92.159; 90;  

COD ID: 2242991
CIF file

HKL data

Original IUCr paper

Formula: - C23 H37.8 Cu N6 O6.9 -
Comments: Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D. Crystal structures of <i>trans</i>-diaqua(3-<i>R</i>-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (<i>R</i> = benzyl or pyridin-3-ylmethyl) Acta Crystallographica Section E 75(7) (2019) 1015-1019
Space group: P 1 21/c 1
Cell volume: 2657.15
Cell parameters: 7.1955; 19.0463; 19.4426; 90; 94.276; 90;  

COD ID: 2242992
CIF file

HKL data

Original IUCr paper

Formula: - C32 H58 Mo7 N16 O26 -
Comments: Sarr, Bougar; Mbaye, Abdou; Diallo, Wally; Diop, Cheikh Abdoul Khadir; Sidibe, Mamadou; Michaud, Francois Synthesis and crystal structure of a new hybrid organic‒inorganic material containing neutral molecules, cations and heptamolybdate anions Acta Crystallographica Section E 75(7) (2019) 1001-1004
Space group: P 1 21/n 1
Cell volume: 5781.08
Cell parameters: 16.5325; 17.5842; 19.8873; 90; 90.653; 90;  

COD ID: 2242993
CIF file

HKL data

Original IUCr paper

Formula: - C20 H28 Al2 Cl10 Sn2 -
Comments: Merkelbach, Johannes; Frank, Walter Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> = Al and Ga) Acta Crystallographica Section E 75(7) (2019) 1051-1056
Space group: P -1
Cell volume: 858.3
Cell parameters: 8.7512; 9.1357; 11.2803; 85.524; 72.769; 86.926;  

COD ID: 2242994
CIF file

HKL data

Original IUCr paper

Formula: - C20 H28 Cl10 Ga2 Sn2 -
Comments: Merkelbach, Johannes; Frank, Walter Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> = Al and Ga) Acta Crystallographica Section E 75(7) (2019) 1051-1056
Space group: P -1
Cell volume: 859.73
Cell parameters: 8.7572; 9.131; 11.2966; 85.424; 72.805; 86.886;  

COD ID: 2242995
CIF file

HKL data

Formula: - C15 H21 N3 O S -
Comments: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook Crystal structure of (<i>E</i>)-<i>N</i>-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide Acta Crystallographica Section E 75(7) (2019) 1065-1068
Space group: P -1
Cell volume: 1494.2
Cell parameters: 10.7799; 10.9481; 14.1895; 74.526; 68.246; 80.207;  

COD ID: 2242996
CIF file

HKL data

Original IUCr paper

Formula: - C31 H30 N2 O6 S2 -
Comments: Duangthongyou, Tanwawan; Rattanakam, Ramida; Chainok, Kittipong; Suramitr, Songwut; Tuntulani, Thawatchai; Wannalerse, Boontana 5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]: crystal structure and DFT calculations Acta Crystallographica Section E 75(7) (2019) 1079-1083
Space group: C 1 2/c 1
Cell volume: 2832.62
Cell parameters: 15.5072; 12.3504; 16.3017; 90; 114.868; 90;  

COD ID: 2242997
CIF file

HKL data

Original IUCr paper

Formula: - C22 H21 N3 O7 S2 -
Comments: Rybalka, Andrii; Shishkina, Svitlana; Ukrainets, Igor; Sidorenko, Lyudmila; Sim, Galina Molecular and crystal structure of 5,9-dimethyl-5<i>H</i>-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']bis[2,1-benzothiazin]-7(9<i>H</i>)-one 6,6,8,8-tetroxide dimethylformamide monosolvate Acta Crystallographica Section E 75(7) (2019) 1076-1078
Space group: P 1 21/c 1
Cell volume: 2193.13
Cell parameters: 7.2678; 26.5667; 11.359; 90; 90.498; 90;  

COD ID: 2242998
CIF file

HKL data

Original IUCr paper

Formula: - C12 H21 N O7 -
Comments: Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P. Multicentered hydrogen bonding in 1-[(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`<small>D</small>-fructose-cycloleucine') Acta Crystallographica Section E 75(8) (2019) 1096-1101
Space group: P 1 21 1
Cell volume: 664.05
Cell parameters: 5.8052; 11.954; 9.6135; 90; 95.506; 90;  

COD ID: 2242999
CIF file

HKL data

Original IUCr paper

Formula: - C13 H12 N2 O2 S -
Comments: Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides Acta Crystallographica Section E 75(8) (2019) 1090-1095
Space group: P b c a
Cell volume: 2525.4
Cell parameters: 13.082; 8.0287; 24.0442; 90; 90; 90;  

COD ID: 2243000
CIF file

HKL data

Formula: - C14 H14 N2 O2 S -
Comments: Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides Acta Crystallographica Section E 75(8) (2019) 1090-1095
Space group: P -1
Cell volume: 674.63
Cell parameters: 6.5185; 9.7447; 10.9291; 78.327; 83.07; 87.013;  

COD ID: 2243001
CIF file

HKL data

Original IUCr paper

Formula: - C48 H38 N14 Ni O4 -
Comments: Chi-Duran, Ignacio; Setifi, Zouaoui; Setifi, Fatima; Jelsch, Christian; Morgenstern, Bernd; Vega, Andres; Herrera, Felipe; Pratap Singh, Dinesh; Hegetschweiler, Kaspar; Boyaala, Rabab Crystal structure and Hirshfeld surface analysis of tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate Acta Crystallographica Section E 75(6) (2019) 867-871
Space group: C 1 2/c 1
Cell volume: 4566.8
Cell parameters: 20.345; 12.439; 19.575; 90; 112.8; 90;  

COD ID: 2243002
CIF file

HKL data

Original IUCr paper

Formula: - C11 H5 F4 N O -
Comments: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E 75(8) (2019) 1102-1107
Space group: P 21 21 21
Cell volume: 974.54
Cell parameters: 5.4199; 10.3293; 17.4076; 90; 90; 90;  

COD ID: 2243003
CIF file

HKL data

Original IUCr paper

Formula: - C11 H4 Br F4 N O -
Comments: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E 75(8) (2019) 1102-1107
Space group: P 1 21/n 1
Cell volume: 1067.24
Cell parameters: 13.353; 5.8584; 14.8863; 90; 113.585; 90;  

COD ID: 2243004
CIF file

HKL data

Original IUCr paper

Formula: - C15 H7 F4 N O -
Comments: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E 75(8) (2019) 1102-1107
Space group: P 21 21 21
Cell volume: 1220.56
Cell parameters: 5.4703; 9.2548; 24.109; 90; 90; 90;  

COD ID: 2243005
CIF file

HKL data

Original IUCr paper

Formula: - C15 H6 Br F4 N O -
Comments: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E 75(8) (2019) 1102-1107
Space group: P 1 21 1
Cell volume: 646.84
Cell parameters: 6.0135; 7.4994; 14.6318; 90; 101.401; 90;  

COD ID: 2243006
CIF file

HKL data

Original IUCr paper

Formula: - C22 H8 F8 N2 O2 -
Comments: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E 75(8) (2019) 1102-1107
Space group: P b c n
Cell volume: 1851.22
Cell parameters: 18.8516; 10.6512; 9.2196; 90; 90; 90;  

COD ID: 2243007
CIF file

HKL data

Original IUCr paper

Formula: - C22 H17 N O2 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V. Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one Acta Crystallographica Section E 75(8) (2019) 1117-1122
Space group: P 1 21/n 1
Cell volume: 1706.3
Cell parameters: 9.1652; 16.9764; 10.9687; 90; 91.156; 90;  

COD ID: 2243008
CIF file

HKL data

Original IUCr paper

Formula: - C14 H17 N O2 -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V. Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one Acta Crystallographica Section E 75(8) (2019) 1117-1122
Space group: P 1 21/c 1
Cell volume: 2514.8
Cell parameters: 10.4844; 26.562; 9.3651; 90; 105.367; 90;  

COD ID: 2243009
CIF file

Original IUCr paper

Formula: - C8 H9 N O -
Comments: Jansen van Vuuren, Leandri; Visser, Hendrik G.; Schutte-Smith, Marietjie Crystal structure of 2-(methylamino)tropone Acta Crystallographica Section E 75(8) (2019) 1128-1132
Space group: P 1 21/c 1
Cell volume: 2156.7
Cell parameters: 17.635; 7.817; 16.718; 90; 110.639; 90;  

COD ID: 2243010
CIF file

HKL data

Original IUCr paper

Formula: - C13 H14 O6 S -
Comments: Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K. Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate Acta Crystallographica Section E 75(8) (2019) 1123-1127
Space group: P 1 21/c 1
Cell volume: 2774.4
Cell parameters: 23.1461; 8.2631; 14.6374; 90; 97.687; 90;  

COD ID: 2243011
CIF file

HKL data

Formula: - C24 H20 Au2 Fe N8 O2 -
Comments: Kucheriv, Olesia I.; Barakhtii, Diana D.; Malinkin, Sergey O.; Shova, Sergiu; Gural'skiy, Il'ya A. Crystal structure of <i>catena</i>-poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)] Acta Crystallographica Section E 75(8) (2019) 1149-1152
Space group: C 1 2/c 1
Cell volume: 2633
Cell parameters: 18.5306; 10.4541; 14.2522; 90; 107.509; 90;  

COD ID: 2243012
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 F4 N2 O2 -
Comments: Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T. Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione Acta Crystallographica Section E 75(8) (2019) 1153-1157
Space group: P -1
Cell volume: 1264.2
Cell parameters: 7.0347; 10.256; 18.129; 78.844; 80.165; 87.242;  

COD ID: 2243013
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 F4 N2 O3 -
Comments: Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T. Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione Acta Crystallographica Section E 75(8) (2019) 1153-1157
Space group: P 1 21/n 1
Cell volume: 1304.1
Cell parameters: 12.285; 5.945; 17.888; 90; 93.44; 90;  

COD ID: 2243014
CIF file

HKL data

Original IUCr paper

Formula: - C27 H32 N4 O7 -
Comments: Filali, Mouad; Elmsellem, Hicham; Hökelek, Tuncer; El-Ghayoury, Abdelkrim; Stetsiuk, Oleh; El Hadrami, El Mestafa; Ben-Tama, Abdessalam Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate Acta Crystallographica Section E 75(8) (2019) 1169-1174
Space group: P 21 21 21
Cell volume: 2573.47
Cell parameters: 8.8417; 11.3252; 25.7003; 90; 90; 90;  

COD ID: 2243015
CIF file

HKL data

Original IUCr paper

Formula: - C16 H15 Br Cl N3 S -
Comments: Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide Acta Crystallographica Section E 75(8) (2019) 1175-1179
Space group: P -1
Cell volume: 828.54
Cell parameters: 8.3146; 8.9424; 12.2388; 80.988; 76.458; 70.027;  

COD ID: 2243016
CIF file

HKL data

Original IUCr paper

Formula: - C17 H23 N O2 -
Comments: Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T. Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione Acta Crystallographica Section E 75(8) (2019) 1140-1144
Space group: P 1 21/c 1
Cell volume: 1567.6
Cell parameters: 16.2512; 7.6859; 13.0989; 90; 106.64; 90;  

COD ID: 2243017
CIF file

HKL data

Original IUCr paper

Formula: - C63.5 H32 Cl F10 N5 Ni S2 -
Comments: Gutzeit, Florian; Näther, Christian; Herges, Rainer Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2) showing a rare CN5 coordination Acta Crystallographica Section E 75(8) (2019) 1180-1184
Space group: P 1 21/c 1
Cell volume: 5559.46
Cell parameters: 14.0919; 22.0127; 17.9648; 90; 93.95; 90;  

COD ID: 2243018
CIF file

HKL data

Original IUCr paper

Formula: - C40 H44 F12 N4 O7 -
Comments: Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T. Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E 75(8) (2019) 1162-1168
Space group: P -1
Cell volume: 2084.42
Cell parameters: 10.0405; 14.6482; 14.6547; 100.745; 93.83; 98.497;  

COD ID: 2243019
CIF file

HKL data

Original IUCr paper

Formula: - C16 H11 Cl2 N3 O -
Comments: Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A. Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile Acta Crystallographica Section E 75(8) (2019) 1190-1194
Space group: P 1 21/c 1
Cell volume: 1459
Cell parameters: 3.9117; 25.109; 14.968; 90; 97.07; 90;  

COD ID: 2243020
CIF file

HKL data

Original IUCr paper

Formula: - C16 H16 Cu2 Fe N8 -
Comments: Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Kucheriv, Olesia I.; Gural'skiy, Il'ya A. Crystal structure of a low-spin poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)] Acta Crystallographica Section E 75(8) (2019) 1205-1208
Space group: C 1 2/c 1
Cell volume: 1691.3
Cell parameters: 13.1997; 9.2923; 13.801; 90; 92.399; 90;  

COD ID: 2243021
CIF file

HKL data

Original IUCr paper

Formula: - C11 H37 Cu5 Gd N11 O24.5 -
Comments: Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W. The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue Acta Crystallographica Section E 75(8) (2019) 1215-1223
Space group: P -1
Cell volume: 1620.2
Cell parameters: 11.2057; 11.5054; 13.2983; 94.026; 94.942; 107.558;  

COD ID: 2243022
CIF file

HKL data

Original IUCr paper

Formula: - C11 H36.56 Cu5 Dy N11 O24.28 -
Comments: Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W. The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue Acta Crystallographica Section E 75(8) (2019) 1215-1223
Space group: P -1
Cell volume: 1608.74
Cell parameters: 11.1083; 11.4991; 13.2894; 93.9235; 94.7713; 107.147;  

COD ID: 2243023
CIF file

HKL data

Original IUCr paper

Formula: - C11 H36.89 Cu5 Ho N11 O24.45 -
Comments: Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W. The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue Acta Crystallographica Section E 75(8) (2019) 1215-1223
Space group: P -1
Cell volume: 1613
Cell parameters: 11.2027; 11.4955; 13.2467; 94.001; 94.784; 107.518;  

COD ID: 2243024
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 Br Cl2 N3 O2 -
Comments: Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A. Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E 75(8) (2019) 1199-1204
Space group: P n a 21
Cell volume: 1572.05
Cell parameters: 13.9181; 13.4336; 8.408; 90; 90; 90;  

COD ID: 2243025
CIF file

HKL data

Original IUCr paper

Formula: - C14 H8 Cl3 N3 O2 -
Comments: Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A. Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E 75(8) (2019) 1199-1204
Space group: P n a 21
Cell volume: 1550.24
Cell parameters: 13.8689; 13.3674; 8.362; 90; 90; 90;  

COD ID: 2243026
CIF file

HKL data

Original IUCr paper

Formula: - C26 H24 Cd I4 N6 -
Comments: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N. Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt Acta Crystallographica Section E 75(8) (2019) 1209-1214
Space group: P 1 21/n 1
Cell volume: 6105.62
Cell parameters: 17.2718; 16.653; 22.4402; 90; 108.922; 90;  

COD ID: 2243027
CIF file

HKL data

Formula: - C26 H30 Cl1.5 N6.5 O4.5 -
Comments: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N. Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt Acta Crystallographica Section E 75(8) (2019) 1209-1214
Space group: P -1
Cell volume: 1327.71
Cell parameters: 7.3959; 10.2889; 18.5155; 88.208; 95.033; 108.916;  

COD ID: 2243028
CIF file

HKL data

Original IUCr paper

Formula: - C11 H11 N O3 -
Comments: Caracelli, Ignez; Zukerman-Schpector, Julio; Schwab, Ricardo S.; da Silva, Everton M.; Jotani, Mukesh M.; Tiekink, Edward R. T. 2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study Acta Crystallographica Section E 75(8) (2019) 1232-1238
Space group: R -3 :H
Cell volume: 4869.8
Cell parameters: 26.3146; 26.3146; 8.1205; 90; 90; 120;  

COD ID: 2243029
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 Br2 O6 -
Comments: Khotchasanthong, Kenika; Jittirattanakun, Siripak; Jiajaroen, Suwadee; Theppitak, Chatphorn; Chainok, Kittipong Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate Acta Crystallographica Section E 75(8) (2019) 1228-1231
Space group: P -1
Cell volume: 306.76
Cell parameters: 4.2823; 6.2607; 11.5497; 96.701; 93.93; 90.575;  

COD ID: 2243030
CIF file

HKL data

Original IUCr paper

Formula: - C26 H16 Cl6 N6 O2 -
Comments: Ahmed, Muhib; Devereux, Michael; McKee, Vickie; McCann, Malachy; Rooney, A. Denise (<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate: a superconjugated ligand Acta Crystallographica Section E 75(8) (2019) 1224-1227
Space group: P 1 21/c 1
Cell volume: 1361
Cell parameters: 5.9406; 18.856; 12.2375; 90; 96.863; 90;  

COD ID: 2243031
CIF file

HKL data

Original IUCr paper

Formula: - C19 H18 N2 O3 S -
Comments: Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J. Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones Acta Crystallographica Section E 75(8) (2019) 1270-1273
Space group: P 1 21/n 1
Cell volume: 3544
Cell parameters: 16.993; 9.955; 21.243; 90; 99.531; 90;  

COD ID: 2243032
CIF file

HKL data

Formula: - C19 H18 N2 O3 S -
Comments: Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J. Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones Acta Crystallographica Section E 75(8) (2019) 1270-1273
Space group: P c a 21
Cell volume: 1767.6
Cell parameters: 17.478; 10.4125; 9.7129; 90; 90; 90;  

COD ID: 2243033
CIF file

HKL data

Original IUCr paper

Formula: - C13 H25 N O3 S -
Comments: Tuksar, Mihaela; Rubčić, Mirta; Meštrović, Ernest (3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate (memantinium mesylate): synthesis, structure and solid-state properties Acta Crystallographica Section E 75(8) (2019) 1274-1279
Space group: P -1
Cell volume: 2268.09
Cell parameters: 11.7761; 11.8731; 18.2788; 92.501; 94.696; 116.609;  

COD ID: 2243034
CIF file

HKL data

Original IUCr paper

Formula: - C69.68 H118.37 Cl3 N4 O6 Pd2 -
Comments: Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes Acta Crystallographica Section E 75(8) (2019) 1265-1269
Space group: P 1 21/c 1
Cell volume: 7427.6
Cell parameters: 15.8843; 29.78; 16.6629; 90; 109.554; 90;  

COD ID: 2243035
CIF file

HKL data

Original IUCr paper

Formula: - C5 H15 Br3 K N2 O0.5 -
Comments: Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs) Acta Crystallographica Section E 75(8) (2019) 1243-1248
Space group: A m m 2
Cell volume: 1245.7
Cell parameters: 13.411; 9.488; 9.79; 90; 90; 90;  

COD ID: 2243036
CIF file

HKL data

Original IUCr paper

Formula: - C5 H15 Br3 N2 O0.5 Rb -
Comments: Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs) Acta Crystallographica Section E 75(8) (2019) 1243-1248
Space group: A m m 2
Cell volume: 1269.3
Cell parameters: 13.477; 9.5617; 9.85; 90; 90; 90;  

COD ID: 2243037
CIF file

HKL data

Original IUCr paper

Formula: - C5 H15 Br3 Cs N2 O0.5 -
Comments: Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs) Acta Crystallographica Section E 75(8) (2019) 1243-1248
Space group: A m m 2
Cell volume: 1319.9
Cell parameters: 13.61; 9.7201; 9.977; 90; 90; 90;  

COD ID: 2243038
CIF file

HKL data

Original IUCr paper

Formula: - C24 H36 Br4 Mn2 N4 O8 -
Comments: Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W. Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide Acta Crystallographica Section E 75(8) (2019) 1284-1290
Space group: P -1
Cell volume: 838.34
Cell parameters: 8.956; 9.7922; 10.2945; 110.048; 90.336; 98.052;  

COD ID: 2243039
CIF file

HKL data

Original IUCr paper

Formula: - C24 H32 Br4 Mn2 N4 O6 -
Comments: Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W. Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide Acta Crystallographica Section E 75(8) (2019) 1284-1290
Space group: P -1
Cell volume: 805.71
Cell parameters: 7.6354; 9.97; 11.898; 111.98; 100.36; 97.737;  

COD ID: 2243040
CIF file

HKL data

Original IUCr paper

Formula: - C26 H36 Br4 Mn2 N4 O6 -
Comments: Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W. Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide Acta Crystallographica Section E 75(8) (2019) 1284-1290
Space group: P 1 21/n 1
Cell volume: 1726.15
Cell parameters: 13.5384; 9.5354; 13.7292; 90; 103.112; 90;  

COD ID: 2243041
CIF file

HKL data

Formula: - C20 H24 Br4 Mn2 N4 O6 -
Comments: Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W. Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide Acta Crystallographica Section E 75(8) (2019) 1284-1290
Space group: P 1 21/n 1
Cell volume: 1448.5
Cell parameters: 7.736; 15.179; 12.528; 90; 100.055; 90;  

COD ID: 2243042
CIF file

HKL data

Original IUCr paper

Formula: - C18 H20 N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: C 1 c 1
Cell volume: 1580.3
Cell parameters: 29.403; 7.9811; 6.7898; 90; 97.352; 90;  

COD ID: 2243043
CIF file

HKL data

Original IUCr paper

Formula: - C18 H19 F N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: P 1 21/c 1
Cell volume: 1577.3
Cell parameters: 6.998; 7.938; 28.415; 90; 92.2; 90;  

COD ID: 2243044
CIF file

HKL data

Original IUCr paper

Formula: - C18 H19 Cl N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: P b c a
Cell volume: 3324.6
Cell parameters: 13.032; 13.247; 19.258; 90; 90; 90;  

COD ID: 2243045
CIF file

HKL data

Original IUCr paper

Formula: - C18 H19 Br N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: P b c a
Cell volume: 3365.7
Cell parameters: 12.9119; 13.3664; 19.5019; 90; 90; 90;  

COD ID: 2243046
CIF file

HKL data

Original IUCr paper

Formula: - C18 H19 I N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: P b c a
Cell volume: 3502
Cell parameters: 12.7671; 13.5429; 20.2542; 90; 90; 90;  

COD ID: 2243047
CIF file

HKL data

Original IUCr paper

Formula: - C18 H20 N2 O3 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly Acta Crystallographica Section E 75(8) (2019) 1253-1260
Space group: P b c a
Cell volume: 3121.4
Cell parameters: 9.7265; 12.9084; 24.861; 90; 90; 90;  

COD ID: 2243048
CIF file

HKL data

Original IUCr paper

Formula: - C4 H11 Br2 Cs N2 -
Comments: Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms Acta Crystallographica Section E 75(8) (2019) 1249-1252
Space group: P b c m
Cell volume: 980.7
Cell parameters: 4.5787; 23.325; 9.1828; 90; 90; 90;  

COD ID: 2243049
CIF file

HKL data

Original IUCr paper

Formula: - C4 H11 Br2 N2 Rb -
Comments: Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms Acta Crystallographica Section E 75(8) (2019) 1249-1252
Space group: P b c m
Cell volume: 928.4
Cell parameters: 4.4675; 23.036; 9.021; 90; 90; 90;  

COD ID: 2243050
CIF file

HKL data

Original IUCr paper

Formula: - C20 H4 Co3 F12 Mo O6 S6 -
Comments: Nguyen, Neilson; Lough, Alan J.; Fekl, Ulrich A molybdenum tris(dithiolene) complex coordinates to three bound cobalt centers in three different ways Acta Crystallographica Section E 75(8) (2019) 1261-1264
Space group: C 1 2/c 1
Cell volume: 6246.5
Cell parameters: 22.7465; 12.8779; 23.6033; 90; 115.384; 90;  

COD ID: 2243051
CIF file

HKL data

Original IUCr paper

Formula: - C14 H12 N2 O4 -
Comments: Chantrapromma, Suchada; Kwong, Huey Chong; Prachumrat, Patcharawadee; Kobkeatthawin, Thawanrat; Chia, Tze Shyang; Quah, Ching Kheng Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide Acta Crystallographica Section E 75(8) (2019) 1280-1283
Space group: P 1 21/c 1
Cell volume: 1181.1
Cell parameters: 11.5352; 7.1711; 15.0606; 90; 108.548; 90;  

COD ID: 2243052
CIF file

HKL data

Original IUCr paper

Formula: - C19 H20 N4 O2 S2 -
Comments: Asegbeloyin, Jonnie N.; Ifeanyieze, Kenechukwu J.; Okpareke, Obinna C.; Oyeka, Ebube E.; Groutso, Tatiana V. Crystal structure and Hirshfeld surface analysis of a new dithioglycoluril: 1,4-bis(4-methoxyphenyl)-3<i>a</i>-methyltetrahydroimidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3<i>H</i>)-dithione Acta Crystallographica Section E 75(9) (2019) 1297-1300
Space group: P 1 21/c 1
Cell volume: 1902.36
Cell parameters: 13.1955; 10.0157; 14.5476; 90; 98.329; 90;  

COD ID: 2243053
CIF file

HKL data

Original IUCr paper

Formula: - C25 H29 N3 O3 -
Comments: Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V. Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid Acta Crystallographica Section E 75(9) (2019) 1306-1310
Space group: P 1 21/c 1
Cell volume: 2207.6
Cell parameters: 11.7624; 22.9546; 8.1934; 90; 93.717; 90;  

COD ID: 2243054
CIF file

HKL data

Formula: - C21 H25 N3 O2 S -
Comments: Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V. Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid Acta Crystallographica Section E 75(9) (2019) 1306-1310
Space group: P 1 21/c 1
Cell volume: 1943.67
Cell parameters: 16.1504; 8.1264; 15.6487; 90; 108.849; 90;  

COD ID: 2243055
CIF file

HKL data

Formula: - C18 H24 N2 O4 -
Comments: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin Acta Crystallographica Section E 75(9) (2019) 1316-1320
Space group: P 1 21/c 1
Cell volume: 1793
Cell parameters: 9.852; 12.789; 14.875; 90; 106.932; 90;  

COD ID: 2243056
CIF file

HKL data

Formula: - C18 H26 N2 O6 -
Comments: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin Acta Crystallographica Section E 75(9) (2019) 1316-1320
Space group: C 1 2/c 1
Cell volume: 3741.3
Cell parameters: 29.507; 8.7445; 17.3659; 90; 123.389; 90;  

COD ID: 2243057
CIF file

HKL data

Original IUCr paper

Formula: - C15 H13 Cl N2 O2 -
Comments: Mertens, R. Tyler; Parkin, Sean R.; Awuah, Samuel G. Synthesis and crystal structure of 1,3-bis(4-hydroxyphenyl)-1<i>H</i>-imidazol-3-ium chloride Acta Crystallographica Section E 75(9) (2019) 1311-1315
Space group: P 1 21/n 1
Cell volume: 1360.4
Cell parameters: 8.1752; 13.2684; 12.7391; 90; 100.105; 90;  

COD ID: 2243058
CIF file

HKL data

Formula: - C129 H105 O7 Yb2 -
Comments: Berg, David J.; Twamley, Brendan Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand Acta Crystallographica Section E 75(9) (2019) 1367-1371
Space group: P 1 21/c 1
Cell volume: 9628.6
Cell parameters: 14.4612; 20.8473; 32.0864; 90; 95.508; 90;  

COD ID: 2243059
CIF file

HKL data

Original IUCr paper

Formula: - C18 H16 N4 O -
Comments: Filali, Mouad; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Chakroune, Said; Ben-Tama, Abdessalam; El Hadrami, El Mestafa Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine Acta Crystallographica Section E 75(9) (2019) 1321-1326
Space group: P 1 21/c 1
Cell volume: 1540.91
Cell parameters: 8.942; 15.113; 11.5829; 90; 100.132; 90;  

COD ID: 2243060
CIF file

HKL data

Original IUCr paper

Formula: - C7 H4 F3 N O2 -
Comments: Zreigh, Mohamed M.; Adams, Harry; Jackson, Richard F. W.; Robertson, Craig C. The first crystal structure of the pyrrolo[1,2-<i>c</i>]oxazole ring system Acta Crystallographica Section E 75(9) (2019) 1336-1338
Space group: P 1 21/c 1
Cell volume: 733.07
Cell parameters: 8.2767; 8.5106; 10.55; 90; 99.443; 90;  

COD ID: 2243061
CIF file

HKL data

Original IUCr paper

Formula: - C26 H36 B2 Fe N12 -
Comments: Seredyuk, Maksym; Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Slobodyanik, Mykola S. Crystal structure and magnetic properties of bis[butyltris(1<i>H</i>-pyrazol-1-yl)borato]iron(II) Acta Crystallographica Section E 75(9) (2019) 1327-1330
Space group: P 1 21/c 1
Cell volume: 2842.48
Cell parameters: 16.0762; 10.1827; 18.341; 90; 108.785; 90;  


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