Crystallography Open Database

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7231313 CIFC15 H12 F3 NP n a 2127.0703; 5.7522; 8.0156
90; 90; 90
1248.14Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231314 CIFC18 H23 N3 O2P 1 21/c 112.8362; 11.1053; 11.7668
90; 92.584; 90
1675.65Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231315 CIFC23 H21 N O2P 1 21 15.66625; 18.3197; 17.6253
90; 90.314; 90
1829.55Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231316 CIFC21 H19 N3 O2P 1 21/c 112.8553; 5.5968; 24.4632
90; 92.11; 90
1758.9Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231346 CIFC18 H26 Cl9 Ir N2 O4 SP b c a11.2915; 16.6242; 32.7927
90; 90; 90
6155.6Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231347 CIFC22 H27 Ir N2 O2P -18.592; 10.2464; 12.6648
78.655; 82.445; 67.017
1004.56Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231348 CIFC18 H29 Cl2 F6 Ir N2 O8 S2P 1 21/c 111.2529; 21.6653; 12.9575
90; 111.582; 90
2937.5Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231363 CIFC8 H19 N3 Si2P 1 21/c 16.7038; 9.1027; 21.146
90; 91.335; 90
1290Roshandel, Sahar; Suri, Suresh C.; Marcischak, Jacob C.; Rasul, Golam; Surya Prakash, G. K.
Catalyst and solvent free microwave-assisted synthesis of substituted 1,2,3-triazoles
Green Chemistry, 2018, 20, 3700
7231382 CIFC14 H7 F4 NP 1 21/c 113.274; 14.344; 6.1256
90; 101.518; 90
1142.8Charpe, Vaibhav Pramod; Hande, Aniket A.; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible-light induced copper(i)-catalysed denitrogenative oxidative coupling of hydrazinylpyridines with terminal alkynes
Green Chemistry, 2018, 20, 4859
7231389 CIFC15 H45 Cl9 N3 O4.5 Sn3C 1 c 115.459; 9.19; 23.79
90; 95.25; 90
3365.62Bayu, Asep; Yoshida, Akihiro; Karnjanakom, Surachai; Kusakabe, Katsuki; Hao, Xiaogang; Prakoso, Tirto; Abudula, Abuliti; Guan, Guoqing
Catalytic conversion of biomass derivatives to lactic acid with increased selectivity in an aqueous tin(ii) chloride/choline chloride system
Green Chemistry, 2018, 20, 4112
7231395 CIFC90 H101 N6 O12P -119.911; 20.945; 23.811
106.471; 107.031; 108.096
8223Zhu, Xin-Qi; Yuan, Han; Sun, Qing; Zhou, Bo; Han, Xiao-Qin; Zhang, Zhi-Xin; Lu, Xin; Ye, Long-Wu
Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3 + 2] annulation of isoxazoles with ynol ethers
Green Chemistry, 2018, 20, 4287
7231603 CIFC40 H45 B Cl2 F4 Ir N3 P2P -111.0544; 13.3742; 14.3388
84.204; 84.669; 72.812
2010.4Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.
A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin
Green Chemistry, 2018, 20, 4875
7231604 CIFC38 H41 B Cl2 F4 Ir N3 P2P 1 21/n 115.5008; 11.5673; 21.116
90; 97.583; 90
3753Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.
A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin
Green Chemistry, 2018, 20, 4875
7231651 CIFC20 H22 F3 N O3P -18.318; 11.515; 11.539
61.6; 78.05; 75.08
934.8He, Yu-Tao; Kang, Dahye; Kim, Inwon; Hong, Sungwoo
Metal-free photocatalytic trifluoromethylative pyridylation of unactivated alkenes
Green Chemistry, 2018, 20, 5209
7231666 CIFC13.75 H12.5 N1.25 O1.25 S0.25P 1 21/c 18.6319; 18.0068; 7.8624
90; 99.001; 90
1207.03Xing, Zhimin; Yang, Mingyang; Sun, Haiyu; Wang, Zemin; Chen, Peng; Liu, Lin; Wang, Xiaolei; Xie, Xingang; She, Xuegong
Visible-light promoted dithioacetalization of aldehydes with thiols under aerobic and photocatalyst-free conditions
Green Chemistry, 2018, 20, 5117
7231667 CIFC51 H37 F12 N5 O9 Zn2C 1 2/c 127.538; 7.887; 23.328
90; 99.24; 90
5000.9Joharian, Monika; Morsali, Ali; Azhdari Tehrani, Alireza; Carlucci, Lucia; Proserpio, Davide M.
Water-stable fluorinated metal‒organic frameworks (F-MOFs) with hydrophobic properties as efficient and highly active heterogeneous catalysts in aqueous solution
Green Chemistry, 2018, 20, 5336
7231688 CIFC114 H126 N24 Nd4 O42 Zn3R -3 c17.8928; 17.8928; 69.099
90; 90; 120
19158.4Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng
Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition
Green Chemistry, 2018
7231689 CIFC114 H126 Eu4 N24 O42 Zn3R -3 c17.8497; 17.8497; 68.762
90; 90; 120
18973.2Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng
Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition
Green Chemistry, 2018
7231775 CIFC12 H11 N O2 SP 1 21/c 111.1231; 11.9525; 8.5577
90; 99.993; 90
1120.48Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng
Metal-free construction of primary sulfonamides through three diverse salts
Green Chemistry, 2018, 20, 5469
7231898 CIFC16 H12 N2 OP 1 21 13.9878; 12.0606; 24.7189
90; 93.93; 90
1186.07Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla
Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination
Green Chemistry, 2019, 21, 99
7231899 CIFC17 H14 N2P 1 21/c 113.2669; 11.5841; 16.4623
90; 100.794; 90
2485.2Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla
Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination
Green Chemistry, 2019, 21, 99
7231952 CIFC40 H36 N8 O4 S2P -110.651; 12.816; 14.137
100.211; 107.686; 101.151
1745.4Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.
A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer
Green Chemistry, 2019, 21, 69
7231953 CIFC26 H26 N4 O2C 1 2/c 120.3152; 14.7532; 16.39
90; 110.119; 90
4612.6Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.
A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer
Green Chemistry, 2019, 21, 69
7231954 CIFC22 H20 N4 O2P 1 21/c 110.9372; 9.1286; 35.781
90; 95.129; 90
3558.1Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.
A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer
Green Chemistry, 2019, 21, 69
7231992 CIFC20 H26 Cl F6 Ir N3 O PP n m a13.5409; 12.9814; 13.6168
90; 90; 90
2393.6Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng
A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media
Green Chemistry, 2019, 21, 219
7231993 CIFC37 H54 Cl N2 P2 RhR -3 c :H26.6194; 26.6194; 27.22
90; 90; 120
16703.8Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A.
Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex
Green Chemistry, 2019, 21, 538
7232134 CIFC8 H12 N2 O2P c a 2113.4813; 8.2397; 6.9346
90; 90; 90
770.31Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Green Chemistry, 2019, 21, 640
7232135 CIFC13 H23 N3 O2P 1 21/n 110.9982; 9.2785; 14.3717
90; 105.714; 90
1411.77Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232136 CIFC12 H21 N3 O2P 1 21/c 19.3632; 18.2488; 8.129
90; 114.812; 90
1260.76Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232137 CIFC13 H19 N3P 21 21 219.9385; 10.0425; 24.7502
90; 90; 90
2470.25Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232138 CIFC8 H14 N2 O3P 1 21/n 17.7428; 11.1556; 10.4925
90; 98.844; 90
895.52Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232139 CIFC9 H17 N3 O3P 1 21/n 18.1469; 10.0659; 12.9174
90; 104.799; 90
1024.16Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232140 CIFC23 H29 N3P 1 21/n 112.5296; 8.0939; 19.7181
90; 98.5378; 90
1977.52Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Green Chemistry, 2019, 21, 640
7232141 CIFC16 H29 N3 O2P 1 21/c 114.3302; 9.2194; 12.9756
90; 104.588; 90
1659.02Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Green Chemistry, 2019, 21, 640
7232142 CIFC13 H23 N3 O2C 1 c 110.3765; 13.1188; 11.2806
90; 114.605; 90
1396.17Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Green Chemistry, 2019, 21, 640
7232143 CIFC15 H30 B F4 N3P 1 21/c 115.2506; 10.8267; 10.8569
90; 90.09; 90
1792.62Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232144 CIFC8 H13 N3 O2P 1 21/c 16.6679; 14.6889; 9.6025
90; 104.13; 90
912.05Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232145 CIFC19.5 H31.5 N3 O2P 1 21/c 114.6071; 41.9109; 14.5422
90; 117.159; 90
7921.1Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts
Green Chemistry, 2019, 21, 640
7232146 CIFC16 H29 N3 O2P 4111.8565; 11.8565; 24.0309
90; 90; 90
3378.2Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian
Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts
Green Chemistry, 2019, 21, 640
7232175 CIFC27 H31 N O3P 1 21/c 110.8693; 19.0667; 11.8343
90; 102.11; 90
2398Chen, Ke; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
Metal-free synthesis of triarylated (Z)-nitrones via H2O-mediated 1,3-dipolar transfer under aerobic conditions
Green Chemistry, 2019, 21, 675
7232200 CIFC27 H20 Cl2 N O PP 1 21/n 19.594; 11.0586; 21.6374
90; 93.293; 90
2291.86Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions
Green Chemistry, 2019, 21, 792
7232201 CIFC30 H27 Cl N O PP 1 21/c 18.6081; 16.0745; 18.0657
90; 99.465; 90
2465.74Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions
Green Chemistry, 2019, 21, 792
7232299 CIFC14 H10 N2 OP 1 21/c 112.1056; 7.802; 11.6256
90; 97.574; 90
1088.43Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng
Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions
Green Chemistry, 2019, 21, 979
7232300 CIFC14 H9 F N2 OP 1 21/c 112.4895; 7.7667; 11.5802
90; 96.718; 90
1115.59Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng
Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions
Green Chemistry, 2019, 21, 979
7232306 CIFC13 H9 N O3P -16.561; 7.0809; 12.0629
89.067; 87.281; 78.757
549.03Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing
Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones
Green Chemistry, 2019, 21, 991
7232307 CIFC18 H12 F3 N O3P -16.7109; 9.819; 12.7318
75.919; 82.43; 80.639
799.18Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing
Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones
Green Chemistry, 2019, 21, 991
7232308 CIFC18 H15 N O4P b c a6.04; 19.12; 26.355
90; 90; 90
3043.6Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing
Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones
Green Chemistry, 2019, 21, 991
7232363 CIFC21 H14 F5 N3 O4P -18.2387; 9.1226; 15.647
78.884; 77.335; 63.875
1023.9Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao
An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group
Green Chemistry, 2019, 21, 1505
7232364 CIFC23 H19 F5 N2 O2P -18.6308; 9.4049; 13.955
78.895; 81.887; 74.726
1067.4Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao
An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group
Green Chemistry, 2019, 21, 1505
7232431 CIFC52 H28 Br16 N4 O9 VP c a b20.733; 26.304; 28.112
90; 90; 90
15331Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.
Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media
Green Chemistry, 2019, 21, 1757

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