Crystallography Open Database
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| 7220063 | CIF | C30 H22 N4 O4.5 S0.5 | P 1 21/c 1 | 24.9048; 9.498; 22.2694 90; 110.723; 90 | 4926.9 | Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T. Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water Green Chem., 2015, 17, 3362 |
| 7220409 | CIF | C29 H25 Cl N2 O3 | P 21 21 21 | 11.88; 16.051; 26.14 90; 90; 90 | 4985 | Vivekanand, Thavaraj; Vinoth, Perumal; Agieshkumar, B.; Sampath, Natarajan; Sudalai, Arumugam; Menéndez, J. Carlos; Sridharan, Vellaisamy Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation‒Michael addition‒cyclization sequence under catalyst- and solvent-free conditions Green Chem., 2015, 17, 3415 |
| 7220410 | CIF | C13 H11 N3 O5 | P 1 21 1 | 8.6065; 7.1858; 11.184 90; 110.985; 90 | 645.794 | Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin “On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones Green Chem., 2015, 17, 3266 |
| 7220411 | CIF | C16 H17 N3 O6 | P 1 21/n 1 | 13.5271; 7.4112; 16.501 90; 94.763; 90 | 1648.55 | Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin “On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones Green Chem., 2015, 17, 3266 |
| 7220412 | CIF | C13 H13 N3 O3 | P 1 21/c 1 | 6.3186; 11.7574; 16.3886 90; 95.537; 90 | 1211.83 | Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin “On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones Green Chem., 2015, 17, 3266 |
| 7220413 | CIF | C22 H24 N2 O4 S2 | P -1 | 8.1437; 11.826; 12.4 73.31; 88.33; 79.7 | 1125.2 | Khazalpour, Sadegh; Nematollahi, Davood Electrochemical and chemical synthesis of different types of sulfonamide derivatives of N,N-dimethyl-1,4-benzenediamine using 4-nitroso-N,N-dimethylaniline Green Chem., 2015, 17, 3508 |
| 7220414 | CIF | C29 H24 N2 O5 | P -1 | 9.441; 10.287; 13.246 100.627; 94.498; 108.144 | 1188.7 | Sarkar, Piyali; Mukhopadhyay, Chhanda Single step incorporation of carboxylic acid groups in the lower rim of calix[4]arenes: a recyclable catalyst towards assembly of diverse five ring fused acridines Green Chem., 2015, 17, 3452 |
| 7220488 | CIF | C19 H35 I O4 S | P -1 | 10.4883; 11.9211; 20.6101 93.874; 92.989; 115.747 | 2306.2 | Koh, Peng-Fei; Loh, Teck Peng Synthesis of Biologically Active Natural Products, Aspergillides A and B, Entirely from Biomass Derived Platform Chemicals Green Chem., 2015 |
| 7220569 | CIF | C11 H18 N2 O S | P 1 21/n 1 | 12.645; 15.1066; 13.214 90; 93.207; 90 | 2520.22 | Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation Green Chem., 2015 |
| 7220570 | CIF | C20 H28 N2 O S | P 1 21/c 1 | 10.4317; 15.4783; 11.9638 90; 102.189; 90 | 1888.19 | Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation Green Chem., 2015 |
| 7220571 | CIF | C11 H18 N2 S2 | P 1 21/n 1 | 7.9953; 15.115; 11.4875 90; 107.186; 90 | 1326.3 | Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation Green Chem., 2015 |
| 7220572 | CIF | C20 H28 N2 S2 | P 1 21/c 1 | 10.1668; 16.0775; 12.9862 90; 103.802; 90 | 2061.4 | Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation Green Chem., 2015 |
| 7220590 | CIF | C23 H14 Cl N O2 | P -1 | 8.686; 10.371; 11.293 109.138; 111.662; 92.379 | 877.8 | Koneni, Venkata Sashidhara; Palnati, Gopala Reddy; Singh, L. Ravithej; Upadhyay, Amit; Avula, Srinivasa Rao; kumar, Abdhesh; Kant, Ruchir Molecular Iodine Catalysed One-Pot Synthesis of Chromeno[4,3-b]quinolin-6-ones under Microwave Irradiation Green Chem., 2015 |
| 7220686 | CIF | C12 H12 N4 O2 | P 1 21/n 1 | 7.534; 10.682; 16.411 90; 102.32; 90 | 1290.3 | Ershov, O. V.; Ievlev, M. Yu.; Tafeenko, V. A.; Nasakin, O. E. Glycine catalyzed diastereoselective domino-synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles in water Green Chem., 2015, 17, 4234 |
| 7220692 | CIF | C20 H17 N O6 | P 1 21/c 1 | 7.8241; 24.301; 9.1574 90; 93.76; 90 | 1737.4 | Xia, JIa-Ning; Yu, Bing; Guo, Chun-Xiang; He, Liang-Nian Copper(I)/phosphine-catalyzed tandem carboxylation/annulation of terminal alkynes with ambient pressure of CO2: one-pot access to 3a-hydroxyisoxazolo[3,2-a]isoindol-8(3aH)-ones Green Chem., 2015 |
| 7220977 | CIF | C20 H43 O4 P | P -1 | 9.6788; 9.6941; 12.4864 86.025; 86.707; 89.675 | 1166.81 | Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F. Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures Green Chem., 2015, 17, 4340 |
| 7220978 | CIF | C34 H74 O6 P2 | P 1 21/c 1 | 10.569; 11.627; 31.826 90; 90.812; 90 | 3911 | Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F. Carbon dioxide uptake from natural gas by binary ionic liquid–water mixtures Green Chem., 2015, 17, 4340 |
| 7220979 | CIF | C20 H15 B F4 N2 | P b c a | 11.5582; 12.3717; 23.8099 90; 90; 90 | 3404.7 | de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H. Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C–N coupling Green Chem., 2015, 17, 4669 |
| 7220980 | CIF | C26 H20 B F4 N3 | P -1 | 8.5758; 10.4878; 12.8368 75.32; 78.092; 74.019 | 1062.06 | de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H. Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C–N coupling Green Chem., 2015, 17, 4669 |
| 7221692 | CIF | C15 H14 Cl2 N2 O2 Ru | P -1 | 7.668; 8.3022; 13.5405 83.606; 81.922; 70.403 | 802.11 | Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K. Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts Green Chem., 2015, 17, 4618 |
| 7221693 | CIF | C19 H22 Cl2 N2 Ru | P 1 21/c 1 | 17.072; 12.3086; 9.1013 90; 100.9; 90 | 1877.97 | Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K. Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts Green Chem., 2015, 17, 4618 |
| 7221876 | CIF | C19 H11 N O2 S | P 1 21/c 1 | 12.242; 11.566; 10.526 90; 93.08; 90 | 1488.2 | Wan, Jie-Ping; Zhou, Youyi; Liu, Yunyun; Sheng, Shouri Metal-free oxidative carbonylation on enaminone CC bond for the cascade synthesis of benzothiazole-containing vicinal diketones Green Chem., 2016, 18, 402 |
| 7221978 | CIF | C4 H6 O4 | P 1 21/c 1 | 10.6016; 9.5305; 10.7702 90; 119.312; 90 | 948.88 | Tryznowski, M.; Żołek-Tryznowska, Z.; Świderska, A.; Parzuchowski, P. G. Synthesis, characterization and reactivity of a six-membered cyclic glycerol carbonate bearing a free hydroxyl group Green Chem., 2016, 18, 802 |
| 7222111 | CIF | C18 H31 N O4 | P -1 | 9.384; 10.484; 11.281 102.829; 94.191; 113.456 | 976.4 | Maleki, Abbas; Nematollahi, Davood; Rasouli, Fereshteh; Zeinodini-Meimand, Azam Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring Green Chem., 2016, 18, 672 |
| 7222112 | CIF | C19 H20 O6 | P n a 21 | 23.0884; 10.4956; 7.3329 90; 90; 90 | 1776.96 | Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R. Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight Green Chem., 2015, 17, 4720 |
| 7222113 | CIF | C19 H20 O6 | P n a 21 | 22.9356; 10.4908; 7.3765 90; 90; 90 | 1774.88 | Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R. Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight Green Chem., 2015, 17, 4720 |
| 7222916 | CIF | C7 H10 F N O3 | P 1 21 1 | 8.5224; 10.305; 9.1442 90; 90.3404; 90 | 803.06 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7222917 | CIF | C7 H10 F N O3 | P 1 21 1 | 8.5211; 10.3039; 9.1547 90; 90.365; 90 | 803.77 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7222918 | CIF | C8 H15 Cl F N O4 | P -1 | 5.821; 6.4875; 15.7485 100.738; 96.625; 94.612 | 577.23 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7222919 | CIF | C7 H10 F N O3 | P 1 21/c 1 | 12.256; 6.72544; 10.4787 90; 113.193; 90 | 793.92 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7222920 | CIF | C7 H13 Cl F N O4 | P 1 21/c 1 | 12.235; 11.3068; 7.6415 90; 100.289; 90 | 1040.12 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7222921 | CIF | C6 H10 F N O4 | P -1 | 6.5648; 6.6759; 9.6206 98.163; 100.929; 101.047 | 399.3 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7223202 | CIF | C88 H72 Cd5 N6 O28 | P 1 21/c 1 | 14.6261; 23.2526; 15.7357 90; 107.099; 90 | 5115.1 | Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry Green Chem., 2016, 18, 951 |
| 7223203 | CIF | C96 H82 Cd5 N8 O28 | P 1 21/c 1 | 14.5196; 23.367; 15.6042 90; 107.475; 90 | 5049.8 | Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry Green Chem., 2016, 18, 951 |
| 7223204 | CIF | C88 H72 Cd3 Cu2 N6 O27 | P 1 21/c 1 | 14.3997; 23.362; 15.543 90; 106.309; 90 | 5018.4 | Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry Green Chem., 2016, 18, 951 |
| 7223205 | CIF | C90 H76 Cd5 N6 O28 | P 1 21/c 1 | 14.583; 23.241; 15.6338 90; 106.99; 90 | 5067.4 | Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry Green Chem., 2016, 18, 951 |
| 7223248 | CIF | C26 H16 N4 O8 Zn | P 1 21/c 1 | 19.13; 26.34; 11.628 90; 90.671; 90 | 5859 | Gong, Le Le; Feng, Xue Feng; Luo, Feng; Yi, Xian Feng; Zheng, An Min Removal and safe reuse of highly toxic allyl alcohol using a highly selective photo-sensitive metal‒organic framework Green Chem., 2016, 18, 2047 |
| 7223249 | CIF | C36 H28 N4 P2 | P -1 | 8.8542; 12.9976; 14.0901 100.076; 90.969; 92.406 | 1594.63 | Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins Green Chem., 2016, 18, 1798 |
| 7223250 | CIF | C40 H34 F6 N4 O6 P2 S2 | P -1 | 14.0858; 14.4866; 15.7112 67.615; 78.55; 62.44 | 2627 | Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins Green Chem., 2016, 18, 1798 |
| 7223251 | CIF | C38 H33 Cl2 I N4 P2 | P 1 21/c 1 | 9.5438; 39.836; 10.6814 90; 116.464; 90 | 3635.4 | Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins Green Chem., 2016, 18, 1798 |
| 7223441 | CIF | C23 H26 N2 O2 | P 1 21/c 1 | 9.0471; 17.5709; 12.943 90; 109.25; 90 | 1942.5 | Harvey, Benjamin G.; Guenthner, Andrew J.; Koontz, Thomas A.; Storch, Perrin J.; Reams, Josiah T.; Groshens, Thomas J. Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine Green Chem., 2016, 18, 2416 |
| 7223442 | CIF | C28 H24 N2 O3 S | P -1 | 9.0258; 11.0099; 12.4506 79.449; 76.11; 80.803 | 1172 | Dandia, Anshu; Parewa, Vijay; Kumari, Sukhbeer; Bansal, Sarika; Sharma, Amit Imposed hydrophobic interactions by NaCl: accountable attribute for the synthesis of spiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole] derivatives via 1,3-dipolar cycloaddition reaction in aqueous medium Green Chem., 2016, 18, 2488 |
| 7223600 | CIF | C38 H48 Cl Cu N4 O S2 | P -1 | 11.443; 12.452; 15.01 71.585; 84.083; 68.386 | 1886.3 | Barman, Milan Kr.; Sinha, Ashish Kumar; Nembenna, Sharanappa An efficient and recyclable thiourea-supported copper(i) chloride catalyst for azide‒alkyne cycloaddition reactions Green Chem., 2016, 18, 2534 |
| 7223770 | CIF | C75 H47 N5 O9 Zn2 | C 1 2/c 1 | 28.525; 29.966; 14.784 90; 109.02; 90 | 11947.1 | Liu, Yue; Chen, Dashu; Li, Xingyu; Yu, Ziyang; Xia, Qiansu; Liang, Desheng; Xing, Hongzhu Visible-light-induced controlled radical polymerization of methacrylates mediated by a pillared-layer metal‒organic framework Green Chem., 2016, 18, 1475 |
| 7223872 | CIF | C26 H34 O3 S | P 21 21 2 | 9.7748; 36.406; 6.5704 90; 90; 90 | 2338.2 | Huang, Mingming; Hu, Liangzhen; Shen, Hang; Liu, Qing; Hussain, Muhammad Ijaz; Pan, Jing; Xiong, Yan Sulfination of alcohols with sodium sulfinates promoted by BF3·OEt2: an unexpected access Green Chem., 2016, 18, 1874 |
| 7224061 | CIF | C20 H22 O | P -1 | 8.4061; 8.6026; 12.582 91.647; 102.618; 112.149 | 816.1 | Wang, Kuai; Meng, Ling-Guo; Zhang, Qi; Wang, Lei Direct construction of 4-aryl tetralones via visible-light-induced cyclization of styrenes with molecular oxygen Green Chem., 2016, 18, 2864 |
| 7224113 | CIF | C14 H14 N2 O2 | P 1 21 1 | 7.5292; 5.7936; 13.9668 90; 93.766; 90 | 607.93 | Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar An efficient synthesis of N-nitrosamines under solvent, metal and acid free conditions using tert-butyl nitrite Green Chem., 2016, 18, 2323 |
| 7224294 | CIF | C18 H13 Cl N4 O Pd | P 1 21/c 1 | 13.0361; 12.7404; 20.0773 90; 94.398; 90 | 3324.7 | Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step Green Chem., 2016, 18, 3295 |
| 7224295 | CIF | C17 H12 Cl N3 O2 Pd | P n a 21 | 18.2644; 9.0854; 19.045 90; 90; 90 | 3160.3 | Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step Green Chem., 2016, 18, 3295 |
| 7224493 | CIF | C17 H12 N2 S | P 1 21/c 1 | 12.247; 13.34; 8.315 90; 77.29; 90 | 1325 | Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles Green Chem., 2016, 18, 2666 |
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