Crystallography Open Database

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4031110 CIFC14 H13 N O3 SP c a 2115.2114; 7.1506; 12.2547
90; 90; 90
1333Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam
Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.
The Journal of organic chemistry, 2015, 80, 6776-6783
4031233 CIFF2 O SeP c a 215.65; 7.46; 6.24
90; 90; 90
263.01Dewan, J.C.; Edwards, A.J.
Fluoride crystal structures. Part 27. Seleninyl difluoride at -35 C
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1976, 1976, 2433-2435
4031297 CIFC16 H22 N4 O3P c a 2112.0826; 14.2388; 18.9958
90; 90; 90
3268.1Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar
Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.
The Journal of organic chemistry, 2015, 80, 7757-7763
4031367 CIFCl2 H14 O17 UP c a 219.302; 14.692; 10.842
90; 90; 90
1481.72Alcock, N.W.; Esperas, S.
Crystal and molecular structure of uranyl diperchlorate heptahydrate
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1977, 1977, 893-896
4031598 CIFH12 Mn N8 O15P c a 2112.194; 7.906; 14.756
90; 90; 90
1422.56Morozov, I.V.; Fedorova, A.A.; Rodionova, T.A.; Troyanov, S.I.
Synthesis and Crystal Structure of (NH4)3[Mn(NO3)4]NO3, (NH4)2[Zn(NO3)4], and (NH4)3[Ni2(NO3)7] Ammonium Nitratometallates
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 2003, 48, 985-985
4031742 CIFC20 H29 Cl N2 NiP c a 2116.3306; 10.2549; 11.1879
90; 90; 90
1873.62Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.
Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.
Beilstein journal of organic chemistry, 2015, 11, 2171-2178
4031825 CIFC39 H39 N15 O3P c a 2128.7618; 11.6367; 35.138
90; 90; 90
11760.4Helzy, Fatima; Maris, Thierry; Wuest, James D.
Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.
The Journal of organic chemistry, 2016, 81, 3076-3086
4032056 CIFC12 H11 N O3P c a 2115.8194; 7.2095; 38.1891
90; 90; 90
4355.47Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi
Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles.
The Journal of organic chemistry, 2016, 81, 10094
4032212 CIFC11 H6 Cl N O S2P c a 2114.1851; 9.0849; 8.6746
90; 90; 90
1117.9Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko
Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.
The Journal of organic chemistry, 2017, 82, 804-810
4032322 CIFC14 H10 N4P c a 2130.257; 6.1188; 18.0108
90; 90; 90
3334.5Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav
Alternative Route Toward Nitrones: Experimental and Theoretical Findings.
The Journal of organic chemistry, 2017, 82, 1666-1675
4032619 CIFC46 H37 N5 O2 S2 ZnP c a 2115.8256; 16.314; 29.6844
90; 90; 90
7663.88Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.
Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.
The Journal of organic chemistry, 2017
4032754 CIFC17 H22 O4P c a 2120.0478; 7.17097; 21.1937
90; 90; 90
3046.85Sahu, Raghaba; Singh, Vishwakarma
Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.
The Journal of organic chemistry, 2017, 82, 6268-6278
4032791 CIFC9 H6 N4 O4P c a 2117.164; 4.9032; 11.0678
90; 90; 90
931.45Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang
Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.
The Journal of organic chemistry, 2017, 82, 8864-8872
4032797 CIFC8 H5 N5 O4P c a 2117.4187; 4.9357; 20.9705
90; 90; 90
1802.91Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang
Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.
The Journal of organic chemistry, 2017, 82, 8864-8872
4032835 CIFC12 H10 N2 O2 S2P c a 2110.81; 14.1314; 8.1358
90; 90; 90
1242.83Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan
Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.
The Journal of organic chemistry, 2017, 82, 10234-10246
4032925 CIFC34 H30 O3 SP c a 2111.4491; 17.7989; 26.917
90; 90; 90
5485.2Chang, Meng-Yang; Hsiao, Yu-Ting
H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.
The Journal of organic chemistry, 2017, 82, 11594-11602
4033070 CIFC20 H20 Cl N O6P c a 217.4384; 11.371; 22.6158
90; 90; 90
1912.9Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin
Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.
The Journal of organic chemistry, 2017, 82, 9418-9424
4033091 CIFC15 H11 N O2P c a 2112.2869; 6.2004; 15.4191
90; 90; 90
1174.68Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei
Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.
The Journal of organic chemistry, 2017, 82, 9877-9884
4033147 CIFC25 H23 N O5 S2P c a 2116.4621; 5.519; 24.511
90; 90; 90
2226.9Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro
Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.
The Journal of organic chemistry, 2017, 82, 12655-12668
4033190 CIFC18 H22 B N3P c a 2121.63; 10.13; 7.429
90; 90; 90
1627.8Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi
N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.
The Journal of organic chemistry, 2017, 82, 13034-13042
4033194 CIFC20 H24 Cl N O3 SP c a 2114.1684; 9.609; 14.3695
90; 90; 90
1956.32Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.
Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.
The Journal of organic chemistry, 2017, 82, 13093-13108
4033268 CIFC17 H18 N6 O4P c a 2118.4527; 14.5187; 7.1119
90; 90; 90
1905.34Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael
Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.
The Journal of organic chemistry, 2017
4033310 CIFC7 H7 F2 IP c a 2117.9542; 11.5049; 7.3428
90; 90; 90
1516.74Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan
Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.
The Journal of organic chemistry, 2017, 82, 11792-11798
4033328 CIFC17 H11 Cl N2P c a 2112.3293; 3.9877; 26.5458
90; 90; 90
1305.14Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.
Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.
The Journal of organic chemistry, 2018, 83, 1056-1064
4033433 CIFC28 H32 N2 O6 S2P c a 2113.3456; 10.2748; 19.6583
90; 90; 90
2695.6Khan, Hina P. A.; Chakraborty, Tushar Kanti
Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.
The Journal of organic chemistry, 2018, 83, 2027-2039
4033675 CIFC21 H14 N4 O2P c a 2134.9784; 5.04961; 9.52947
90; 90; 90
1683.16Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr
3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.
The Journal of organic chemistry, 2019, 84, 6377-6394
4033739 CIFC19 H16 Cl N OP c a 2112.5381; 12.1234; 21.6325
90; 90; 90
3288.2Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua
Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.
The Journal of organic chemistry, 2019, 84, 2297-2306
4033780 CIFC16 H12 F3 N O2P c a 2115.212; 9.2803; 10.3264
90; 90; 90
1457.8Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao
Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.
The Journal of organic chemistry, 2019, 84, 2200-2208
4033847 CIFC24 H22 O7P c a 2114.0881; 7.8859; 35.7414
90; 90; 90
3970.77Zhao, Yun-Long; Cheng, Ying
Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.
The Journal of organic chemistry, 2019, 84, 11114-11124
4033930 CIFC41 H47 I3 O2 S12P c a 2126.475; 10.6566; 18.45
90; 90; 90
5205.4Fleck, Nico; Hett, Tobias; Brode, Jonas; Meyer, Andreas; Richert, Sabine; Schiemann, Olav
C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label.
The Journal of organic chemistry, 2019, 84, 3293-3303
4033983 CIFC25 H26 Cl N3 O RuP c a 219.1; 14.3544; 17.5769
90; 90; 90
2295.98Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu
<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.
The Journal of organic chemistry, 2019, 84, 12314-12323
4034155 CIFC64 H56 B Cl4 F2 N5 O2P c a 2127.017; 13.446; 14.381
90; 90; 90
5224Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu
Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.
The Journal of organic chemistry, 2019, 84, 8886-8898
4034523 CIFC19 H15 F O2 SP c a 218.521; 5.6665; 32.043
90; 90; 90
1547.2Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao
Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones.
The Journal of organic chemistry, 2019, 84, 13646-13654
4034561 CIFC25 H17 N O2 SP c a 2115.0652; 12.5113; 19.6794
90; 90; 90
3709.28Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim
Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.
The Journal of organic chemistry, 2019, 84, 13528-13539
4034580 CIFC24 H22 O2P c a 2111.4273; 12.1982; 12.8395
90; 90; 90
1789.73Ukis, Rostyslav; Schneider, Christoph
Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.
The Journal of organic chemistry, 2019, 84, 7175-7188
4034685 CIFC23 H22 N2 O3P c a 218.9275; 10.3757; 21.3167
90; 90; 90
1974.5Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani
Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.
The Journal of organic chemistry, 2019
4034764 CIFC13 H10 O2P c a 2122.487; 5.6204; 7.7323
90; 90; 90
977.3Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc
Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.
The Journal of organic chemistry, 2018, 83, 15486-15492
4034907 CIFC16 H15 N3 O3 SP c a 2127.52; 5.4702; 21.104
90; 90; 90
3177Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio
α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.
The Journal of organic chemistry, 2018, 83, 4336-4347
4034915 CIFC15 H11 N3 O2P c a 2110.6723; 15.0547; 8.1047
90; 90; 90
1302.17Lee, Heejin; Lee, Jae Kyun; Min, Sun-Joon; Seo, Hyeonglim; Lee, Youngbok; Rhee, Hakjune
Copper(I)-Catalyzed Synthesis of 1,4-Disubstituted 1,2,3-Triazoles from Azidoformates and Aryl Terminal Alkynes.
The Journal of organic chemistry, 2018, 83, 4805-4811
4035001 CIFC10 H10 N2 O2P c a 2113.755; 5.1325; 25.638
90; 90; 90
1810Maity, Rajib; Naskar, Sandip; Das, Indrajit
Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.
The Journal of organic chemistry, 2018, 83, 2114-2124
4035051 CIFC15 H12 O4P c a 2124.4632; 6.3155; 7.98
90; 90; 90
1232.89Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.
Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.
The Journal of organic chemistry, 2018, 83, 10089-10096
4035161 CIFC28 H28 Cl2 N10 O6P c a 2123.38; 15.66; 17.82
90; 90; 90
6524Liang, Dong-Dong; Wang, Mei-Xiang
Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.
The Journal of organic chemistry, 2018, 83, 3316-3324
4035206 CIFC16 H23 N O4P c a 2113.7745; 9.69517; 23.1634
90; 90; 90
3093.38Faderl, Christian; Budde, Simon; Kachkovskyi, Georgiy; Rackl, Daniel; Reiser, Oliver
Visible Light-Mediated Decarboxylation Rearrangement Cascade of ω-Aryl- N-(acyloxy)phthalimides.
The Journal of organic chemistry, 2018, 83, 12192-12206
4035342 CIFC11 H16 F2 O4P c a 2118.0944; 6.5258; 18.8242
90; 90; 90
2222.8McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.
Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.
The Journal of organic chemistry, 2018, 83, 8888-8905
4035464 CIFC34 H18P c a 2118.7921; 27.7246; 7.6833
90; 90; 90
4003.03Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.
1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.
The Journal of organic chemistry, 2018, 83, 3979-3986
4035708 CIFC29 H26 B F2 N3P c a 2124.1507; 12.2214; 7.8434
90; 90; 90
2315Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles
Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.
The Journal of organic chemistry, 2018, 83, 14406-14418
4035817 CIFC18 H17 N OP c a 2122.2044; 8.5077; 7.4456
90; 90; 90
1406.54Shi, Xiaonan; Chen, Xi; Wang, Muhua; Zhang, Xinying; Fan, Xuesen
Regioselective Synthesis of Acylated N-Heterocycles via the Cascade Reactions of Saturated Cyclic Amines with 2-Oxo-2-arylacetic Acids.
The Journal of organic chemistry, 2018, 83, 6524-6533
4035887 CIFC14 H7 F2 N O2P c a 2124.8334; 5.7013; 7.5769
90; 90; 90
1072.76Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin
Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.
The Journal of organic chemistry, 2019, 84, 326-337
4035889 CIFC25 H18 Br N O4 SP c a 2115.8917; 12.4954; 10.8866
90; 90; 90
2161.79Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin
Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.
The Journal of organic chemistry, 2019, 84, 326-337
4035972 CIFC14 H10 F N3P c a 2115.346; 5.6824; 13.3043
90; 90; 90
1160.2Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.
Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.
The Journal of organic chemistry, 2019, 84, 963-972

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