Crystallography Open Database

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1554403 CIFC14 H18 N2 O SP -15.5091; 7.2665; 16.992
80.823; 83.934; 78.863
656.9Dutta, Soumya; Mondal, Manas; Ghosh, Tubai; Saha, Amit
Unprecedented thiocarbamidation of nitroarenes: a facile one-pot route to unsymmetrical thioureas
Organic Chemistry Frontiers, 2019, 6, 70
1554419 CIFC20 H18P n a 2115.853; 12.375; 7.3639
90; 90; 90
1444.7Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.
Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism
Organic Chemistry Frontiers, 2019, 6, 134
1554420 CIFC20 H14 O4P 1 21/c 18.0844; 19.8817; 10.2123
90; 109.061; 90
1551.44Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.
Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism
Organic Chemistry Frontiers, 2019, 6, 134
1554437 CIFC13 H13 N O4 SP 1 21/c 19.1009; 17.5658; 8.1862
90; 103.294; 90
1273.61Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554438 CIFC13 H15 N O5 SP -17.2268; 9.0737; 10.4696
80.813; 84.674; 88.958
674.8Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554439 CIFC13 H19 N O8 SP -17.2412; 9.7236; 11.4552
85.64; 87.406; 77.183
783.86Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554440 CIFC16 H13 N O5 SP 1 21/n 16.6266; 18.2993; 11.8645
90; 99.67; 90
1418.3Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554446 CIFC31 H44 N3 P2 RhP 1 21/n 110.9778; 16.148; 17.5888
90; 106.231; 90
2993.7Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei
Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex
Organic Chemistry Frontiers, 2019, 6, 721
1554447 CIFC92 H120 N6 O3 P4 Rh2C 1 2/c 129.2408; 13.8295; 25.4214
90; 120.925; 90
8818.6Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei
Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex
Organic Chemistry Frontiers, 2019, 6, 721
1554449 CIFC30 H37 I N2 RuP -112.2395; 14.363; 18.399
89.442; 89.312; 88.419
3232.9Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis
Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines
Organic Chemistry Frontiers, 2019, 6, 563
1554450 CIFC27 H31 I N2 RuP 1 21/n 115.329; 7.7727; 21.254
90; 95.269; 90
2521.7Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis
Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines
Organic Chemistry Frontiers, 2019, 6, 563
1554463 CIFC27 H25 N O3 SP -18.892; 9.668; 13.91
86.33; 86.29; 67.91
1105Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554464 CIFC22 H25 N O3 SP -17.6023; 7.8229; 16.7412
85.307; 84.129; 85.07
984.06Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554465 CIFC28 H27 N O3 SP 1 21/c 110.5059; 11.5524; 19.3292
90; 99.812; 90
2311.6Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554466 CIFC25 H29 N O3 SP 1 21/n 18.6751; 21.9074; 12.355
90; 107.893; 90
2234.5Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554485 CIFC20 H24 O5P 21 21 216.1036; 12.5506; 21.976
90; 90; 90
1683.45Yang, Qian; Hu, Kun; Yan, Bing-Chao; Liu, Miao; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin
Maoeriocalysins A‒D, four novel ent-kaurane diterpenoids from Isodon eriocalyx and their structure determination utilizing quantum chemical calculation in conjunction with quantitative interproton distance analysis
Organic Chemistry Frontiers, 2019, 6, 45
1554489 CIFC10 H8 F N3P b c a7.4865; 11.7277; 20.913
90; 90; 90
1836.1Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554490 CIFC16 H12 F N5 O2P 1 21/c 18.4745; 13.483; 12.5515
90; 96.566; 90
1424.7Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554491 CIFC10 H8 F N3P 1 21/n 16.185; 7.487; 18.728
90; 96.138; 90
862.3Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554492 CIFC70 H56 Ag5 Cl2 N6 P4A e a 227.38; 26.9; 24.03
90; 90; 90
17699Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554493 CIFC20 H14 N2P -13.9188; 12.5127; 15.3057
101.08; 96.416; 92.665
730.13Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554494 CIFC22 H19 N3P 1 21/c 110.5762; 7.8869; 19.9879
90; 91.535; 90
1666.7Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554495 CIFC25 H20 N4 O2P -19.1577; 10.7173; 13.3021
106.893; 91.497; 91.349
1248.12Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554496 CIFC30 H25 N O3P 1 21 18.5256; 16.9053; 8.9274
90; 112.31; 90
1190.37Xu, Jianfeng; Peng, Jingyi; He, Chonglong; Ren, Hongjun
N-Heterocyclic carbene catalyzed chemo- and enantioselective cross-benzoin reaction of aldehydes with isatins
Organic Chemistry Frontiers, 2019, 6, 172
1554497 CIFC18 H12 Cl3 O P S3C 1 2/c 112.268; 8.6753; 37.965
90; 92.878; 90
4035.5Lu, Guozhang; Chen, Jun; Huangfu, Xinlei; Li, Xueyan; Fang, Meijuan; Tang, Guo; Zhao, Yufen
Visible-light-mediated direct synthesis of phosphorotrithioates as potent anti-inflammatory agents from white phosphorus
Organic Chemistry Frontiers, 2019, 6, 190
1554498 CIFC38 H42 Cl2 O7C 1 2 125.2058; 7.2704; 19.2306
90; 105.306; 90
3399.1Fan, Jian-Hong; Hu, Ya-Jian; Guo, Qiang; Li, Shaoping; Zhao, Jing; Li, Chuang-Chuang
Asymmetric synthesis of the tetracyclic core of bufogargarizin C by an intramolecular [5 + 2] cycloaddition
Organic Chemistry Frontiers, 2019, 6, 22
1554499 CIFC27 H22 N O2 PP 1 21 17.8836; 12.2399; 11.1988
90; 90.174; 90
1080.62Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping
Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides
Organic Chemistry Frontiers, 2019, 6, 236
1554500 CIFC27 H22 N O2 PP 16.0253; 9.0011; 10.3679
75.005; 76.437; 89.09
527.4Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping
Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides
Organic Chemistry Frontiers, 2019, 6, 236
1554501 CIFC19 H15 F3 O4C 1 2/c 123.47; 9.9387; 17.2934
90; 123.484; 90
3364.4Chen, Yueji; You, Yi; Weng, Zhiqiang
Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities
Organic Chemistry Frontiers, 2019, 6, 213
1554502 CIFC17 H12 Br2 F2 O2P 1 21/c 113.7491; 5.8303; 21.42
90; 105.814; 90
1652.1Chen, Yueji; You, Yi; Weng, Zhiqiang
Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities
Organic Chemistry Frontiers, 2019, 6, 213
1554503 CIFC22 H21 N O5P 21 21 221.2879; 7.5138; 11.5723
90; 90; 90
1851.02Shoji, Taku; Araki, Takanori; Iida, Nanami; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo
Synthesis of azulenophthalimides by phosphine-mediated annulation of 1,2-diformylazulenes with maleimides
Organic Chemistry Frontiers, 2019, 6, 195
1554504 CIFC68 H68 Cl6 N4 O10 P2R -3 :H25.2081; 25.2081; 30.11
90; 90; 120
16570Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554505 CIFC66 H66 I N2 O4 P2C 1 2/c 119.7346; 19.9943; 14.9829
90; 110.36; 90
5542.6Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554506 CIFC34 H34 Br Cl3 N O2 PP 1 21/c 110.967; 15.8648; 20.3172
90; 105.084; 90
3413.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554507 CIFC66 H66 F6 N2 O4 P3C 1 2/c 119.664; 19.9512; 15.5025
90; 111.125; 90
5673.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554508 CIFC66 H66 Cl N2 O7.33 P2R -3 :H24.8062; 24.8062; 30.0418
90; 90; 120
16009.5Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554509 CIFC74 H86 F12 N2 O6 P4P b c a15.5817; 20.6208; 22.0566
90; 90; 90
7086.9Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554510 CIFC66 H66 N2 O4 P2P 1 21/c 114.2234; 15.5567; 12.5242
90; 108.744; 90
2624.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554511 CIFC66 H66 Br N2 O4 P2R -3 :H24.7543; 24.7543; 30.0212
90; 90; 120
15931.6Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554512 CIFC12 H17 N SP 1 21/c 16.3585; 10.945; 17.5672
90; 92.051; 90
1221.78Lai, Miao; Wu, Zhiyong; Wang, Yizhi; Zheng, Ying; Zhao, Mingqin
Selective synthesis of aryl thioamides and aryl-α-ketoamides from α-oxocarboxylic acids and tetraalkylthiuram disulfides: an unexpected chemoselectivity from aryl sulfonyl chlorides
Organic Chemistry Frontiers, 2019, 6, 506
1554513 CIFC21 H19 Br O3P 21 21 2110.687; 12.035; 14.902
90; 90; 90
1917Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing
Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine
Organic Chemistry Frontiers, 2019, 6, 1080
1554514 CIFC17 H20 O3P 21 21 2110.4344; 11.4942; 11.5277
90; 90; 90
1382.58Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554515 CIFC20 H20 O3P -18.431; 8.6965; 11.7742
80.603; 87.055; 65.92
777.47Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554516 CIFC25 H21 F O3P 1 21/c 19.8733; 10.3877; 37.781
90; 96.893; 90
3846.8Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554517 CIFC19 H16 O2F d d 223.63; 42.848; 5.8546
90; 90; 90
5927.8Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
Organic Chemistry Frontiers, 2019, 6, 437
1554518 CIFC20 H18 O3P 1 21/c 110.476; 15.249; 11.317
90; 116.28; 90
1621Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
Organic Chemistry Frontiers, 2019, 6, 437
1554519 CIFC23 H21 N O3 SI 1 a 18.3257; 15.1988; 16.3404
90; 95.005; 90
2059.8Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng
Cu(OTf)2-mediated C(sp2)‒H arylsulfonylation of enamides via the insertion of sulfur dioxide
Organic Chemistry Frontiers, 2019, 6, 94
1554520 CIFC23 H25 N3 O3P 21 21 2111.8106; 12.5767; 26.9924
90; 90; 90
4009.4Luo, Xiaowei; Chen, Chunmei; Tao, Huaming; Lin, Xiuping; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong
Structurally diverse diketopiperazine alkaloids from the marine-derived fungus Aspergillus versicolor SCSIO 41016
Organic Chemistry Frontiers, 2019, 6, 736
1554521 CIFC20 H23 N2 O3 PP -19.115; 9.448; 11.944
101.46; 91.031; 106.62
962.9Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu
Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines
Organic Chemistry Frontiers, 2019, 6, 393
1554522 CIFC18 H20 N O3 PP 1 c 17.6453; 11.642; 9.808
90; 102.969; 90
850.7Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu
Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines
Organic Chemistry Frontiers, 2019, 6, 393

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