Crystallography Open Database

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7157987 CIFC22 H18 Br N O3 SP -19.6907; 10.3979; 11.4082
88.986; 65.263; 80.064
1026.5Yang, Lei; Zhou, Shun; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Wei-Cheng
A cascade deprotonation/intramolecular aldol reaction of α-carbonyl sulfonium ylides with 2-mercaptoindole-3-carbaldehydes and 2-mercaptobenzaldehydes to access thieno[2,3-<i>b</i>]indoles and benzothiophenes.
Organic & biomolecular chemistry, 2021, 19, 3678-3686
7157988 CIFC11 H12 N2 O4 SP -18.4413; 8.917; 9.0986
95.122; 107.332; 113.574
581.96Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao
An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.
Organic & biomolecular chemistry, 2021, 19, 3595-3600
7157989 CIFC25 H19 Br N2 O4 SP 21 21 216.7354; 18.2897; 19.0257
90; 90; 90
2343.75Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin
Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.
Organic & biomolecular chemistry, 2021, 19, 3687-3697
7157990 CIFC17 H15 F3 O3 SP -19.9842; 10.3171; 17.4171
76.458; 89.873; 70.481
1638.32Sun, Tao; He, Shijun; Xu, Zhongliang; Zuo, Jianping; Yu, Yang; Yang, Weibo
Rh-Catalyzed C-H alkylation enabling modular synthesis of CF<sub>3</sub>-substituted benzannulated macrocyclic inhibitors of B cell responses.
Organic & biomolecular chemistry, 2021, 19, 3589-3594
7157991 CIFC21 H21 N3 O2 SP n a 2117.663; 7.822; 29.714
90; 90; 90
4105Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui
Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.
Organic & biomolecular chemistry, 2021, 19, 3868-3872
7157992 CIFC21 H17 N3 O2 S2C 1 2/c 119.019; 19.073; 10.6129
90; 95.402; 90
3832.7Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing
NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.
Organic & biomolecular chemistry, 2021, 19, 3932-3939
7157993 CIFC23 H23 N5 O4 SP -17.1506; 10.5088; 15.9913
102.89; 98.917; 106.16
1094.43Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing
NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.
Organic & biomolecular chemistry, 2021, 19, 3932-3939
7157994 CIFC49 H37 Cl3 F9 N9 S3P -113.8799; 14.913; 14.9991
106.397; 108.593; 108.531
2523.1Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing
NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.
Organic & biomolecular chemistry, 2021, 19, 3932-3939
7157995 CIFC25 H35 N O6P 1 21/n 19.2271; 17.1809; 15.5673
90; 103.803; 90
2396.61Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7157996 CIFC16 H21 N O4P 4316.2391; 16.2391; 5.8098
90; 90; 90
1532.09Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7157997 CIFC26 H37 N O6C 1 c 114.5546; 19.3096; 8.6608
90; 94.446; 90
2426.74Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7157998 CIFC26 H37 N O7C 1 c 115.3793; 19.2972; 8.5773
90; 99.046; 90
2513.89Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7157999 CIFC25 H35 N O7P 21 21 2110.8932; 17.0966; 39.2989
90; 90; 90
7318.9Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7158000 CIFC26 H37 N O6P 1 21 110.5703; 18.2177; 13.5717
90; 98.191; 90
2586.79Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7158001 CIFC25 H35 N O7P 21 21 2110.8971; 17.1101; 39.2778
90; 90; 90
7323.4Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
Organic & biomolecular chemistry, 2021, 19, 4043-4047
7158002 CIFC29 H24 N2 O4 S2P 1 21/c 19.847; 17.2006; 16.0137
90; 106.046; 90
2606.6Liu, Huahua; Wei, Li; Chen, Zhiyuan
One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.
Organic & biomolecular chemistry, 2021, 19, 3359-3369
7158003 CIFC11 H11 Br Cl N OP c a 219.7336; 9.4426; 12.9051
90; 90; 90
1186.11Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei
NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.
Organic & biomolecular chemistry, 2021, 19, 3834-3837
7158004 CIFC26 H29 Cl N4 O4P 21 21 219.2734; 12.5056; 22.5981
90; 90; 90
2620.69Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei
An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.
Organic & biomolecular chemistry, 2021, 19, 3820-3824
7158006 CIFC19 H18 O3P 21 21 217.9229; 9.4474; 20.875
90; 90; 90
1562.5Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra
Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.
Organic & biomolecular chemistry, 2021, 19, 3901-3910
7158007 CIFC20 H22 N2C 1 c 16.251; 18.8202; 14.227
90; 98.706; 90
1654.45Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra
Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.
Organic & biomolecular chemistry, 2021, 19, 3901-3910
7158008 CIFC31 H25 N O3P -15.712; 10.0398; 21.6602
84.51; 87.428; 78.784
1212.4Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail
Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.
Organic & biomolecular chemistry, 2021, 19, 3829-3833
7158009 CIFC21.33 H18 N0.67 O2P -110.602; 11.2205; 13.0016
95.41; 112.439; 115.598
1225.34Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail
Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.
Organic & biomolecular chemistry, 2021, 19, 3829-3833
7158010 CIFC27 H19 N O3P 1 21/c 110.301; 6.87; 29.971
90; 97.272; 90
2103.9Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta
Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.
Organic & biomolecular chemistry, 2021, 19, 3925-3931
7158011 CIFC23 H26 N2P b c n14.1551; 9.5932; 13.369
90; 90; 90
1815.41Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158012 CIFC23 H22 Br2 O6P n a 2119.6128; 12.3072; 9.3607
90; 90; 90
2259.47Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158013 CIFC21 H20 Cl2 N2P -18.8647; 10.0294; 11.7597
110.64; 90.771; 112.601
889.76Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158014 CIFC33 H30 N2P -15.5415; 10.2343; 21.638
86.297; 89.697; 87.381
1223.32Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158015 CIFC21 H20 F2 N2P -17.9071; 8.9267; 11.6792
86.424; 84.971; 85.252
817.11Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158016 CIFC14 H18 O2P 1 21/n 16.517; 10.4112; 15.8832
90; 97.934; 90
1067.36Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim
Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.
Organic & biomolecular chemistry, 2021, 19, 4027-4031
7158017 CIFC10 H16 N2 SP 1 21/c 116.845; 7.2075; 9.0263
90; 104.89; 90
1059.1Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing
Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.
Organic & biomolecular chemistry, 2021, 19, 4060-4066
7158018 CIFC10 H10 N2 SP -18.4613; 11.5857; 20.5398
105.707; 100.475; 90.015
1903.4Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing
Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.
Organic & biomolecular chemistry, 2021, 19, 4060-4066
7158019 CIFC15 H10 I N O3P b c a7.7449; 16.862; 21.49
90; 90; 90
2806.5Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin
I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.
Organic & biomolecular chemistry, 2021, 19, 4258-4262
7158020 CIFC48 H52 N4 O8 S2P 1 21/n 120.7942; 11.5133; 21.0097
90; 117.4; 90
4465.6Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu
Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.
Organic & biomolecular chemistry, 2021, 19, 4054-4059
7158021 CIFC28 H28 N2 O4 SP 1 21/n 110.9256; 19.212; 12.467
90; 108.176; 90
2486.3Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu
Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.
Organic & biomolecular chemistry, 2021, 19, 4054-4059
7158022 CIFC19 H20 N2 O2 SP 1 21/c 110.5135; 19.334; 9.35
90; 114.646; 90
1727.4Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu
Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.
Organic & biomolecular chemistry, 2021, 19, 4054-4059
7158023 CIFC23 H24 N2 O4 SP 1 21/n 110.7975; 15.5298; 13.53
90; 111.241; 90
2114.62Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu
Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.
Organic & biomolecular chemistry, 2021, 19, 4054-4059
7158024 CIFC26 H25 N2 O5 PP 1 21/n 114.0275; 9.3309; 18.6042
90; 101.919; 90
2382.59Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu
Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.
Organic & biomolecular chemistry, 2021, 19, 4054-4059
7158025 CIFC19 H26 N2 O4 SP -18.5936; 9.1593; 11.8002
97.475; 95.711; 98.379
904.42Ilari, Denise; Maskri, Sarah; Schepmann, Dirk; Köhler, Jens; Daniliuc, Constantin G.; Koch, Oliver; Wünsch, Bernhard
Diastereoselective synthesis of conformationally restricted KOR agonists.
Organic & biomolecular chemistry, 2021, 19, 4082-4099
7158026 CIFC34 H49 N4 O9P 1 21/c 117.858; 7.985; 24.624
90; 92.493; 90
3508Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin
An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation.
Organic & biomolecular chemistry, 2021, 19, 4359-4363
7158027 CIFC18 H18 N2 O4P -18.755; 9.844; 10.982
111.2; 98.323; 105.109
821.3Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini
A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.
Organic & biomolecular chemistry, 2021, 19, 4118-4125
7158028 CIFC13 H13 N OP b c a12.5334; 9.3516; 17.836
90; 90; 90
2090.5Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.
An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.
Organic & biomolecular chemistry, 2021, 19, 4048-4053
7158029 CIFC26 H23 N2 O4 PP -18.83667; 12.0256; 12.1039
83.6482; 74.9958; 70.8882
1173.43Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata
Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.
Organic & biomolecular chemistry, 2021, 19, 4132-4136
7158030 CIFC120 H134 Fe2 N24 O24P 1 21/c 114.0152; 32.06; 27.4484
90; 101.878; 90
12069.2Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.
Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.
Organic & biomolecular chemistry, 2021, 19, 5521-5524
7158031 CIFC29 H22 Cl3 N O5P 1 21/n 19.17; 29.3; 9.624
90; 94.36; 90
2578Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.
An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.
Organic & biomolecular chemistry, 2021, 19, 4338-4345
7158032 CIFC28 H21 N O5 SP -19.944; 10.1014; 11.6132
79.844; 79.371; 84.323
1125.89Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.
An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.
Organic & biomolecular chemistry, 2021, 19, 4338-4345
7158033 CIFC29 H23 N O6 SP -19.427; 10.2071; 13.7551
76.432; 74.927; 79.643
1232.36Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.
An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.
Organic & biomolecular chemistry, 2021, 19, 4338-4345
7158034 CIFC28 H20 Cl N O5P 1 21/n 19.8464; 16.367; 14.348
90; 94.553; 90
2305Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.
An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.
Organic & biomolecular chemistry, 2021, 19, 4338-4345
7158035 CIFC12 H10 Br N O3C 1 2/c 123.452; 4.5449; 22.939
90; 111.31; 90
2277.8Krause, Andreas; Sperlich, Eric; Schmidt, Bernd
Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.
Organic & biomolecular chemistry, 2021, 19, 4292-4302
7158036 CIFC15 H18 O5I 1 2/a 129.6153; 4.8689; 20.5
90; 104.698; 90
2859.25Krause, Andreas; Sperlich, Eric; Schmidt, Bernd
Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.
Organic & biomolecular chemistry, 2021, 19, 4292-4302
7158037 CIFC19 H15 Br N2 OP 1 21/c 110.73; 9.218; 16.091
90; 95.635; 90
1583.9Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin
Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.
Organic & biomolecular chemistry, 2021, 19, 4268-4271

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