Crystallography Open Database
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|---|---|---|---|---|---|---|
| 7224494 | CIF | C15 H12 N2 S | P 21/c 1 1 | 5.873; 9.367; 22.93 91.31; 90; 90 | 1261.1 | 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 |
| 7224566 | CIF | C20 H21 N5 O4 | P 1 21/n 1 | 9.9263; 15.4568; 12.4445 90; 96.737; 90 | 1896.16 | Zhang, Xiaofeng; Zhi, Sanjun; Wang, Wei; Liu, Shuai; Jasinski, Jerry P.; Zhang, Wei A pot-economical and diastereoselective synthesis involving catalyst-free click reaction for fused-triazolobenzodiazepines Green Chem., 2016, 18, 2642 |
| 7224593 | CIF | C19 H16 F N O4 | P -1 | 8.747; 11.406; 16.58 80.72; 85.21; 85.46 | 1623.2 | Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation Green Chem., 2016, 18, 3582 |
| 7224743 | CIF | C25 H25 N O9 | P 1 21/c 1 | 23.7419; 8.0217; 31.6881 90; 127.152; 90 | 4810.1 | Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K. Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides Green Chem., 2016, 18, 2961 |
| 7224744 | CIF | C21 H17 N O8 | P -1 | 8.133; 11.671; 11.708 63.061; 84.432; 75.914 | 960.8 | Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K. Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides Green Chem., 2016, 18, 2961 |
| 7225073 | CIF | C20 H22 N2 | P 1 21/c 1 | 10.815; 19.201; 7.858 90; 104.8; 90 | 1577.6 | Cai, Jinhui; Li, Feifei; Deng, Guo-Jun; Ji, Xiaochen; Huang, Huawen The cyclopropylimine rearrangement/Povarov reaction cascade for the assembly of pyrrolo[3,2-c]quinoline derivatives Green Chem., 2016, 18, 3503 |
| 7225077 | CIF | C20 H21 N4 O2.5 | P b c n | 15.4558; 18.7716; 26.327 90; 90; 90 | 7638.3 | Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions Green Chem., 2016, 18, 4216 |
| 7225078 | CIF | C20 H11 N3 O4 | P -1 | 10.3603; 13.054; 14.655 75.239; 84.652; 69.915 | 1800 | Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions Green Chem., 2016, 18, 4216 |
| 7225170 | CIF | C50 H68 N14 O16 Zn2 | I m -3 | 28.6573; 28.6573; 28.6573 90; 90; 90 | 23534.5 | Han, Yun-Hu; Zhou, Zhong-Yuan; Tian, Chong-Bin; Du, Shao-Wu A dual-walled cage MOF as an efficient heterogeneous catalyst for the conversion of CO2under mild and co-catalyst free conditions Green Chem., 2016, 18, 4086 |
| 7225274 | CIF | C19 H21 N3 O | C 1 2/c 1 | 11.725; 17.259; 16.041 90; 90.789; 90 | 3245.8 | Lezana, Nicolás; Matus-Pérez, Massiel; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo Highly stereoselective and catalyst-free synthesis of annulated tetrahydropyridines by intramolecular imino-Diels–Alder reaction under microwave irradiation in water Green Chem., 2016, 18, 3712 |
| 7225275 | CIF | C55 H81 N2 Nd O5 | P -1 | 13.61; 15.446; 15.506 98.661; 107.06; 112.68 | 2743.8 | Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide Green Chem., 2016, 18, 4270 |
| 7225276 | CIF | C55 H79 N2 O4 Y | P 1 21/n 1 | 15.2272; 14.1936; 24.434 90; 99.252; 90 | 5212.2 | Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide Green Chem., 2016, 18, 4270 |
| 7225277 | CIF | C142 H214 N4 Nd2 O10 Zn | C 1 2/c 1 | 25.713; 25.211; 25.54 90; 115.838; 90 | 14901 | Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide Green Chem., 2016, 18, 4270 |
| 7225288 | CIF | C18 H33 B2 F8 Ir N4 O2 | P -1 | 8.6729; 11.3034; 13.751 85.039; 74.421; 78.507 | 1271.7 | Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand Green Chem., 2016, 18, 4553 |
| 7225401 | CIF | C10 H10 O5 | P 1 21/c 1 | 10.6927; 7.81215; 10.6458 90; 95.5149; 90 | 885.16 | Bai, Yinjuan; De bruyn, Mario; Clark, James H.; Dodson, Jennifer R.; Farmer, Thomas J.; Honoré, Mathilde; Ingram, Ian D. V.; Naguib, Mohamed; Whitwood, Adrian C.; North, Michael Ring opening metathesis polymerisation of a new bio-derived monomer from itaconic anhydride and furfuryl alcohol Green Chem., 2016, 18, 3945 |
| 7225495 | CIF | C15 H11 N O | P 1 21/n 1 | 13.2486; 7.0891; 13.5496 90; 114.155; 90 | 1161.2 | Shi, Qing; Li, Pinhua; Zhu, Xianjin; Wang, Lei Decarboxylative/decarbonylative C3-acylation of indoles via photocatalysis: a simple and efficient route to 3-acylindoles Green Chem., 2016, 18, 4916 |
| 7225644 | CIF | C17 H17 Br O2 | P -1 | 9.5598; 9.6393; 18.0624 75.207; 81.884; 72.871 | 1533.97 | Chen, Dao-Qian; Guo, Chun-Huan; Zhang, Heng-Rui; Jin, Dong-Po; Li, Xue-Song; Gao, Pin; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min A metal-free transformation of alkynes to carbonyls directed by remote OH group Green Chem., 2016, 18, 4176 |
| 7225655 | CIF | C16 H8 F3 I N0 O2 | P 1 21/c 1 | 10.392; 15.7128; 9.0091 90; 102.556; 90 | 1435.9 | Ni, Shengyang; Cao, Jia; Mei, Haibo; Han, Jianlin; Li, Shuhua; Pan, Yi Sunlight-promoted cyclization versus decarboxylation in the reaction of alkynoates with N-iodosuccinimide: easy access to 3-iodocoumarins Green Chem., 2016, 18, 3935 |
| 7225779 | CIF | C17 H12 O2 | P -1 | 7.1649; 7.1976; 25.276 92.384; 92.571; 90.05 | 1301 | Zhang, Wen-Zhen; Yang, Ming-Wang; Lu, Xiao-Bing Carboxylative cyclization of substituted propenyl ketones using CO2: transition-metal-free synthesis of α-pyrones Green Chem., 2016, 18, 4181 |
| 7225883 | CIF | C32 H27 Br Cl3 O P | P 1 21/c 1 | 12.9435; 13.19; 17.35 90; 96.085; 90 | 2945.4 | Liu, Shiyao; Suematsu, Naoki; Maruoka, Keiji; Shirakawa, Seiji Design of bifunctional quaternary phosphonium salt catalysts for CO2fixation reaction with epoxides under mild conditions Green Chem., 2016, 18, 4611 |
| 7225884 | CIF | C22 H18 O2 | P 1 21/c 1 | 8.8686; 6.9699; 27.0903 90; 98.69; 90 | 1655.32 | Zhang, Zhenbei; Sun, Qiangsheng; Xu, Daqian; Xia, Chungu; Sun, Wei Direct halogenative dearomatization of 2-naphthols by NXS (X = Cl, Br) in water Green Chem., 2016, 18, 5485 |
| 7225942 | CIF | C16 H13 Br Cl F3 N2 | I 1 2/a 1 | 22.7475; 11.3014; 27.0251 90; 104.181; 90 | 6735.9 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225943 | CIF | C9 H10 Br I N2 | C 1 2/c 1 | 16.4865; 10.7791; 13.0845 90; 110.686; 90 | 2175.3 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225944 | CIF | C9 H11 Br N2 | C 1 2/c 1 | 16.7925; 8.3062; 15.0809 90; 108.294; 90 | 1997.2 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225945 | CIF | C9 H11 Br N2 | P 1 21/c 1 | 7.4282; 14.952; 8.9188 90; 94.547; 90 | 987.46 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225946 | CIF | C8 H7 Br N2 | P 1 21/c 1 | 3.9883; 17.853; 11.2011 90; 91.622; 90 | 797.23 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225947 | CIF | C8 H8 Br I N2 | P 1 21/c 1 | 6.0553; 14.8323; 12.439 90; 103.295; 90 | 1087.25 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225948 | CIF | C12 H11 Br Cl F3 N2 | P -1 | 11.0563; 11.1805; 12.0711 98.874; 103.353; 103.781 | 1375 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225949 | CIF | C9 H6 Cl F3 N2 | I 1 2/a 1 | 12.0869; 8.1608; 19.776 90; 102.192; 90 | 1906.7 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7225950 | CIF | C8 H7 N3 O2 | R -3 | 24.304; 24.304; 6.8579 90; 90; 120 | 3508.1 | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem., 2016, 18, 4623 |
| 7226057 | CIF | C8 H8 O2 | P 1 21/n 1 | 6.6884; 7.6318; 12.9438 90; 100.414; 90 | 649.83 | Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K. Synthesis of phenols from hydroxymethylfurfural (HMF) Green Chem., 2016, 18, 5800 |
| 7226058 | CIF | C11 H14 O3 | P 1 21/c 1 | 4.5985; 20.751; 10.2612 90; 91.893; 90 | 978.6 | Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K. Synthesis of phenols from hydroxymethylfurfural (HMF) Green Chem., 2016, 18, 5800 |
| 7226098 | CIF | C8 H12 O6 | P 1 21/c 1 | 7.8642; 4.0675; 14.5155 90; 96.896; 90 | 460.96 | Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert Methyl vinyl glycolate as a diverse platform molecule Green Chem., 2016, 18, 5448 |
| 7226477 | CIF | C13 H13 N3 O | P 1 21/n 1 | 13.5515; 3.9004; 20.9865 90; 94.725; 90 | 1105.5 | Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula Eco-friendly synthesis of indo dyes mediated by a bacterial laccase Green Chem., 2016, 18, 6063 |
| 7226516 | CIF | C27 H18 N2 O7 Zn | P 21 21 2 | 15.7341; 19.19; 8.3925 90; 90; 90 | 2534 | Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks Green Chem., 2016, 18, 5418 |
| 7226517 | CIF | C28 H18 N2 O8 Zn2 | P 4/m m m | 10.8088; 10.8088; 16.283 90; 90; 90 | 1902.3 | Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks Green Chem., 2016, 18, 5418 |
| 7226602 | CIF | C27 H22 N2 O | C 1 2/c 1 | 18.7062; 8.1149; 28.815 90; 106.281; 90 | 4198.7 | Mishra, Pawan K.; Verma, Akhilesh K. Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium Green Chem., 2016, 18, 6367 |
| 7226670 | CIF | C36.75 H35 Br N2 O | P -1 | 9.5392; 12.9758; 13.6796 95.066; 96.544; 107.057 | 1595 | Sarkar, Piyali; Mukhopadhyay, Chhanda The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core Green Chem., 2016, 18, 6556 |
| 7226726 | CIF | C20 H17 P S | P 1 21/n 1 | 14.697; 6.6112; 17.826 90; 96.96; 90 | 1719.3 | Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes Green Chem., 2016, 18, 4896 |
| 7226727 | CIF | C22 H27 O P | P 1 21 1 | 5.719; 17.9432; 9.0209 90; 99.0333; 90 | 914.22 | Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes Green Chem., 2016, 18, 4896 |
| 7226749 | CIF | C9 H13 N3 O2 | P 1 21/c 1 | 7.3261; 20.1659; 13.1676 90; 102.555; 90 | 1898.8 | Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu. Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides Green Chem., 2016, 18, 6630 |
| 7226750 | CIF | C8 H10 Br N3 O | P 1 21/c 1 | 4.18964; 21.1953; 10.4364 90; 95.814; 90 | 921.99 | Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu. Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides Green Chem., 2016, 18, 6630 |
| 7226751 | CIF | C8 H10 Cl N3 O | P 1 21/c 1 | 4.1274; 20.8167; 10.4887 90; 95.909; 90 | 896.39 | Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu. Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides Green Chem., 2016, 18, 6630 |
| 7226790 | CIF | C30 H22 O2 | P n a 21 | 15.6898; 10.314; 13.7275 90; 90; 90 | 2221.45 | Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans Green Chem., 2016, 18, 6648 |
| 7226791 | CIF | C29 H19 F O | P -1 | 11.309; 12.473; 16.361 111.827; 92.561; 104.099 | 2054.3 | Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans Green Chem., 2016, 18, 6648 |
| 7226792 | CIF | C29 H19 Cl O | P 1 21/c 1 | 9.5556; 18.935; 11.627 90; 96.866; 90 | 2088.6 | Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans Green Chem., 2016, 18, 6648 |
| 7226822 | CIF | C27 H26 N4 O6 S | P 1 21/n 1 | 17.4184; 8.2542; 18.8202 90; 104.911; 90 | 2614.8 | Liu, Xihong; Yang, Dongxu; Wang, Kezhou; Zhang, Jinlong; Wang, Rui A catalyst-free 1,3-dipolar cycloaddition of C,N-cyclic azomethine imines and 3-nitroindoles: an easy access to five-ring-fused tetrahydroisoquinolines Green Chem., 2017, 19, 82 |
| 7226888 | CIF | C16 H11 N3 O | P 1 21 1 | 4.958; 21.437; 12.165 90; 98.132; 90 | 1280 | Xie, Yu-Yang; Wang, Ying-Chun; He, Yan; Hu, Da-Chao; Wang, Heng-Shan; Pan, Ying-Ming Catalyst-free synthesis of fused 1,2,3-triazole and isoindoline derivatives via an intramolecular azide‒alkene cascade reaction Green Chem., 2017, 19, 656 |
| 7226889 | CIF | C19 H13 N | P 1 21/n 1 | 8.4892; 17.7731; 9.0884 90; 107.345; 90 | 1308.9 | Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines Green Chem., 2016, 18, 6241 |
| 7226890 | CIF | C19 H12 Cl N | P -1 | 7.5233; 9.2661; 11.5013 109.068; 96.475; 105.036 | 714.5 | Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines Green Chem., 2016, 18, 6241 |
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