Crystallography Open Database

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7200930 CIFC6 H4 B Cl F3 N O2C 1 2/c 124.08; 7.8042; 9.3848
90; 96.42; 90
1752.6Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions
Organic & Biomolecular Chemistry, 2009, 7, 2155-2161
7200929 CIFC21 H15 F3 N4 OP 1 21/c 18.3449; 17.3757; 12.7303
90; 94.65; 90
1839.8Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions
Organic & Biomolecular Chemistry, 2009, 7, 2155-2161
7200928 CIFC15 H10 F3 N5 O2P -15.8768; 8.4512; 15.156
83.57; 82.56; 85.02
739.71Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions
Organic & Biomolecular Chemistry, 2009, 7, 2155-2161
7200927 CIFC17 H20 B F3 N2 O3P 1 21/c 112.1172; 16.9563; 9.5326
90; 113.12; 90
1801.3Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions
Organic & Biomolecular Chemistry, 2009, 7, 2155-2161
7200926 CIFC6 H5 B F3 N O2P 1 21/c 17.7372; 7.0418; 13.8744
90; 95.18; 90
752.84Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions
Organic & Biomolecular Chemistry, 2009, 7, 2155-2161
7159941 CIFC25 H24 Br N3 O4P 21 21 218.5837; 16.3187; 19.3809
90; 90; 90
2714.8Liu, Jiamin; Wei, Xingfu; Wang, Yue; Qu, Jingping; Wang, Baomin
Asymmetric synthesis of atropisomeric arylpyrazoles via direct arylation of 5-aminopyrazoles with naphthoquinones
Organic & Biomolecular Chemistry, 2024
7159940 CIFC31 H24 N2 O6P 1 21 17.4391; 15.3129; 10.5379
90; 96.299; 90
1193.17Eguchi, Shiori; Naoe, Mami; Kageyama, Asako; Imai, Yoshitane; Tonai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; TAKASHIMA, HIROSHI
Circularly polarised luminescence from intramolecular excimer emission of bis-1,8-naphthalimide derivatives
Organic & Biomolecular Chemistry, 2024
7159939 CIFC29 H24 N O4 PC 1 2/c 116.3847; 17.7511; 18.5322
90; 107.632; 90
5136.8Liu, Xian; Hao, Liqiang; Wang, Yangyang; Yu, Xiao; Yang, Zhaoziyuan; Liu, Yiping; Ji, Yafei
Cu<sub>2</sub>O-catalyzed cascade phosphinylation/cyclization of 2'-aminochalcones for the synthesis of hemi-indigo derivatives.
Organic & biomolecular chemistry, 2024
7159938 CIFC8.5 H10 O3P 1 21 18.3489; 5.0069; 18.757
90; 91.038; 90
783.95Pocock, Ian A.; Doulcet, Julien; Rice, Craig; Sweeney, Joseph B.; Gill, Duncan Michael
Stereocontrolled synthesis of the aconitine D ring from D-glucose
Organic & Biomolecular Chemistry, 2024
7159937 CIFC20 H16 Cl2 N2 O6P -18.0746; 8.2867; 16.9277
95.59; 98.647; 114.34
1004.16Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024
7159936 CIFC18 H12 Cl2 N2 O3P -18.2481; 10.2725; 10.6752
68.739; 77.265; 87.293
821.66Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024
7159935 CIFC14 H13 Br Cl N O4P 1 21/n 17.4292; 16.5544; 12.3299
90; 96.297; 90
1507.26Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024
7159934 CIFC18 H12 F2 N2 O6P -17.8953; 10.688; 10.9838
68.919; 77.025; 82.949
841.85Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024
7159933 CIFC26 H25 N4 O4P 1 21/n 110.6494; 10.3451; 21.0786
90; 98.471; 90
2296.88Uvarova , Ekaterina Sergeevna; Kutasevich, Anton Viktorovich; Lipatov, Egor S.; Pytskii, I. S.; Raitman, Oleg; Selivantev, Yuriy; Mityanov, Vitaly
Three-Component Cascade Reaction of 3-Ketonitriles, 2-Unsubstituted Imidazole N-oxides, and Aldehydes
Organic & Biomolecular Chemistry, 2024
7159932 CIFC23 H21 N3 O SP 1 21/c 113.4764; 8.598; 17.6336
90; 100.61; 90
2008.27Uvarova , Ekaterina Sergeevna; Kutasevich, Anton Viktorovich; Lipatov, Egor S.; Pytskii, I. S.; Raitman, Oleg; Selivantev, Yuriy; Mityanov, Vitaly
Three-Component Cascade Reaction of 3-Ketonitriles, 2-Unsubstituted Imidazole N-oxides, and Aldehydes
Organic & Biomolecular Chemistry, 2024
7159931 CIFC22 H18 Cl2 N3 O2P b c a13.8855; 10.0424; 29.2647
90; 90; 90
4080.78Uvarova , Ekaterina Sergeevna; Kutasevich, Anton Viktorovich; Lipatov, Egor S.; Pytskii, I. S.; Raitman, Oleg; Selivantev, Yuriy; Mityanov, Vitaly
Three-Component Cascade Reaction of 3-Ketonitriles, 2-Unsubstituted Imidazole N-oxides, and Aldehydes
Organic & Biomolecular Chemistry, 2024
7159930 CIFC23 H21 N3 O2C 1 2/c 128.6642; 8.551; 17.5757
90; 116.701; 90
3848.55Uvarova , Ekaterina Sergeevna; Kutasevich, Anton Viktorovich; Lipatov, Egor S.; Pytskii, I. S.; Raitman, Oleg; Selivantev, Yuriy; Mityanov, Vitaly
Three-Component Cascade Reaction of 3-Ketonitriles, 2-Unsubstituted Imidazole N-oxides, and Aldehydes
Organic & Biomolecular Chemistry, 2024
7159929 CIFC24 H25 N O4P 1 21 18.0358; 10.9125; 12.2549
90; 90.715; 90
1074.56You, Pengyuan; Liu, Minjie; Zhang, Ke; Yang, Fan; Tan, Zequn; Chen, Fener
Highly Enantio- and Diastereoselective Construction of Spirocyclic Oxindoles via a Palladium-Catalyzed Decarboxylative Asymmetric [4 + 2] Annulation Strategy
Organic & Biomolecular Chemistry, 2024
7159928 CIFC16 H22 I N O2P -19.6026; 10.9032; 15.9038
80.907; 89.846; 80.988
1623.48François, Jordan; Jacolot, Maiwenn; Popowycz, Florence
Borrowing Hydrogen C-alkylation with secondary saturated heterocyclic alcohols
Organic & Biomolecular Chemistry, 2024
7159927 CIFC25 H42 O3P 17.9393; 12.0041; 12.3904
86.79; 89.802; 73.896
1132.65Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347
Organic & Biomolecular Chemistry, 2024
7159926 CIFC25 H42 O3P 21 21 218.005; 10.685; 26.893
90; 90; 90
2300.25Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347
Organic & Biomolecular Chemistry, 2024
7159925 CIFC9 H12 O4P 15.5136; 7.5778; 11.5822
78.459; 82.801; 77.467
461.13Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347
Organic & Biomolecular Chemistry, 2024
7159924 CIFC16 H9 N3 OP b c a12.5878; 9.5702; 21.3754
90; 90; 90
2575.05Feng, Heng; Hou, Jie; Mu, Xiaonan; Zheng, Renhua; Geng, Xiao; Wang, Lei
BPO-Promoted [4 + 2] cyclization of enaminones and o-phenylenediamines to 2-acyl quinoxalines via a cascade transamination and C–H amination
Organic & Biomolecular Chemistry, 2024
7159923 CIFC28 H28 N2 O4P 1 21/n 16.1921; 11.958; 32.979
90; 91.359; 90
2441.2Peng, Yiyuan; Liu, Yan; Yang, Qin; Wang, Wei; Fu, Yang; Ding, Qiuping
Visible-Light-Induced Three-Component Reactions of α-Diazoesters, Quinazolinones and Cyclic Ethers Selectively Lead to Quinazoline-Based Hybrids
Organic & Biomolecular Chemistry, 2024
7159922 CIFC26 H19 N O4P 1 21/c 111.5055; 22.2353; 8.1847
90; 107.478; 90
1997.21Yadav, Anup Kumar; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar
PIDA-Promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-c]chromen-4-ones at room temperature
Organic & Biomolecular Chemistry, 2024
7159921 CIFC24 H15 N O4P b c a20.4669; 8.1277; 21.7889
90; 90; 90
3624.56Yadav, Anup Kumar; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar
PIDA-Promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-c]chromen-4-ones at room temperature
Organic & Biomolecular Chemistry, 2024
7159920 CIFC18 H16 N4P 1 21 111.0543; 7.6061; 18.348
90; 97.582; 90
1529.2Gallardo-Rosas, David; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Toscano, Ruben Alfredo; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen
Structure and isomerization behavior relationships of new push–pull azo-pyrrole photoswitches
Organic & Biomolecular Chemistry, 2024
7159919 CIFC27 H17 F O3 SP 1 21/n 110.85251; 9.76803; 20.3019
90; 99.4241; 90
2123.11Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan
BF3·Et2O Assisted Synthesis of Sulfinylated Spiro[5.5]trienones from Biaryl ynones
Organic & Biomolecular Chemistry, 2024
7159918 CIFC28 H18 Cl F O3 SP c a 2120.5567; 11.19093; 9.50595
90; 90; 90
2186.83Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan
BF3·Et2O Assisted Synthesis of Sulfinylated Spiro[5.5]trienones from Biaryl ynones
Organic & Biomolecular Chemistry, 2024
7159917 CIFC19 H15 Ca N2 O SP 1 21/n 19.392; 12.6535; 14.9156
90; 102.255; 90
1732.2Wang, Qing; Shao, Chukai; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue
Me3SiBr-promoted cascade electrophilic thiocyanation/cyclization of ortho-alkynylanilines to synthesize indole derivatives
Organic & Biomolecular Chemistry, 2024
7159916 CIFC52 H48 B Cu F4 P4P 1 21/n 114.0344; 18.8088; 18.9839
90; 90.5447; 90
5010.96Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai
New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines
Organic & Biomolecular Chemistry, 2024
7159915 CIFC40 H40 B Cu F2 O2 P2P c a 2122.02359; 9.06591; 18.14329
90; 90; 90
3622.56Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai
New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines
Organic & Biomolecular Chemistry, 2024
7159914 CIFC14 H22 N2 O SP 1 21 110.7916; 6.2242; 11.7768
90; 108.897; 90
748.4Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai
New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines
Organic & Biomolecular Chemistry, 2024
7159913 CIFC15 H27 B N2P 21 21 218.6952; 10.1193; 17.1397
90; 90; 90
1508.11Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai
New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines
Organic & Biomolecular Chemistry, 2024
7159912 CIFC9 H18 B NR 3 :H10.5689; 10.5689; 8.3975
90; 90; 120
812.3Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai
New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines
Organic & Biomolecular Chemistry, 2024
7159911 CIFC18 H15 Cl N2 O2P 1 21/c 19.56; 17.5287; 9.6337
90; 100.077; 90
1589.5Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar
Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs.
Organic & biomolecular chemistry, 2024
7159910 CIFC23 H17 F2 N O3 S2P 1 21/c 113.093; 19.0071; 8.6034
90; 104.253; 90
2075.14Li, Xuemin; Shi, Haofeng; He, Jiaxin; Wu, Jialiang; Sun, Fengxia; Du, Yunfei
Synthesis of Deuteriodifluoromethylthiolated Isocoumarins-1- imines and Isocoumarins Enabled by Multi-Component Reagents System (MCRS)
Organic & Biomolecular Chemistry, 2024
7159909 CIFC124 H108 Br4 N8 O16 S8P -113.7999; 15.4016; 27.5518
87.085; 81.887; 82.628
5746.1Volla, Chandra; Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay Murali
A Highly Diastereoselective One-Pot Ugi/Radical Spirocyclization/Aza-Michael Addition Sequence
Organic & Biomolecular Chemistry, 2024
7159908 CIFC25 H16 O6P 21 21 217.965; 12.839; 18.595
90; 90; 90
1901.6Neto, Brenno A. D.; Beck, Pedro; Leitão, Arthur; Santana, Yasmin; Correa, Jose R.; Rodrigues, Carime Vitória da Silva; Machado, Daniel; Matos, Guilherme; Machado Ramos, Luciana; Gatto, Claudia Cristina; Z. Andrade, Carlos Kleber; Caldas, Sarah
Revisiting Biginelli-like Reactions: Solvent Effects, Mechanisms, Biological Applications and Correction of Several Literature Reports
Organic & Biomolecular Chemistry, 2024
7159907 CIFC18 H13 F3 N2 O SP -14.788; 10.509; 16.019
90.169; 91.422; 90.026
805.8Wang, Si-Yu; Liu, Chu; Yang, Wei; Tian, Zhong-Ying; Yuan, Lin; Xie, Long-Yong
Efficient Synthesis of SCF3-Containing 3-Alkenylquinoxalinones via Three-Component Radical Cascade Reaction
Organic & Biomolecular Chemistry, 2024
7159906 CIFC24 H18 O2P 1 21/n 19.459; 18.5; 11.372
90; 114.575; 90
1809.7Nguyen, Cao Nguyen; Nguyen, Duc Toan; Tran, Ha An; Mac, Hung Dinh; Nguyen, Thi Thu Tram; Retailleau, Pascal; Nguyen, Thanh Binh
Base- and Sulfur- Promoted Oxidative Lactonization of Chalcone-Acetate Michael Adducts: Access to Pyran-2-ones
Organic & Biomolecular Chemistry, 2024
7159905 CIFC25 H15 Cl O2P 1 21/c 116.591; 7.19; 15.695
90; 93.373; 90
1869Jaiswal, Gaurav; Pan, Subhas Chandra
BBr3-Mediated Dearomatizative Spirocyclization of Biaryl Ynones: Facile Access to Spiro[5.5]dienones
Organic & Biomolecular Chemistry, 2024
7159904 CIFC11 H10 N2 O2C 1 2/c 125.82; 6.09696; 12.748
90; 94.7721; 90
1999.88Arai, Shigeru; Nakazawa, Koichi; Yang, Xiao-Fei; Nakajima, Masaya; Harada, Shinji; Nishida, Atsushi
Nickel-catalysed Regio- and Stereoselective Hydrocyanation of Alkynoates and Its Mechanistic Insights Proposed by DFT Calculations
Organic & Biomolecular Chemistry, 2024
7159903 CIFC18 H18 Br Cl2 N O2 SP 1 21/c 111.812; 15.31; 11.343
90; 112.195; 90
1899.3Saikia, Anil Kumar; Bora, Surjya Kumar; Biswas, Subhamoy; Behera, Bipin Kumar
Stereoselective Synthesis of gem-Dihalopiperidines via Halo-Aza-Prins Cyclization Reaction: Access to Piperidin-4-ones and Pyridines
Organic & Biomolecular Chemistry, 2024
7159902 CIFC14 H12 N2 O3P 1 21/n 123.2329; 4.8344; 23.5477
90; 116.157; 90
2374Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159901 CIFC14 H12 N2 O3P 1 21/n 123.4299; 4.904; 23.6545
90; 115.944; 90
2444Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159900 CIFC12 H8 N2 O2P 1 21 13.7817; 9.718; 12.9407
90; 92.15; 90
475.24Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159899 CIFC12 H8 N2 O2P 1 21 13.7249; 9.6327; 12.9466
90; 92.843; 90
463.96Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159898 CIFC35 H28 N2P 1 21/n 110.7077; 9.2729; 25.954
90; 98.298; 90
2550Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika
Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles
Organic & Biomolecular Chemistry, 2024
7159897 CIFC37 H27 NP -19.6614; 12.3016; 12.4047
66.465; 77.764; 82.339
1319Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika
Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles
Organic & Biomolecular Chemistry, 2024

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