Crystallography Open Database

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7224494 CIFC15 H12 N2 SP 21/c 1 15.873; 9.367; 22.93
91.31; 90; 90
1261.1Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav
Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles
Green Chem., 2016, 18, 2666
7224566 CIFC20 H21 N5 O4P 1 21/n 19.9263; 15.4568; 12.4445
90; 96.737; 90
1896.16Zhang, Xiaofeng; Zhi, Sanjun; Wang, Wei; Liu, Shuai; Jasinski, Jerry P.; Zhang, Wei
A pot-economical and diastereoselective synthesis involving catalyst-free click reaction for fused-triazolobenzodiazepines
Green Chem., 2016, 18, 2642
7224593 CIFC19 H16 F N O4P -18.747; 11.406; 16.58
80.72; 85.21; 85.46
1623.2Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo
Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation
Green Chem., 2016, 18, 3582
7224743 CIFC25 H25 N O9P 1 21/c 123.7419; 8.0217; 31.6881
90; 127.152; 90
4810.1Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.
Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides
Green Chem., 2016, 18, 2961
7224744 CIFC21 H17 N O8P -18.133; 11.671; 11.708
63.061; 84.432; 75.914
960.8Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.
Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides
Green Chem., 2016, 18, 2961
7225073 CIFC20 H22 N2P 1 21/c 110.815; 19.201; 7.858
90; 104.8; 90
1577.6Cai, Jinhui; Li, Feifei; Deng, Guo-Jun; Ji, Xiaochen; Huang, Huawen
The cyclopropylimine rearrangement/Povarov reaction cascade for the assembly of pyrrolo[3,2-c]quinoline derivatives
Green Chem., 2016, 18, 3503
7225077 CIFC20 H21 N4 O2.5P b c n15.4558; 18.7716; 26.327
90; 90; 90
7638.3Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang
Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions
Green Chem., 2016, 18, 4216
7225078 CIFC20 H11 N3 O4P -110.3603; 13.054; 14.655
75.239; 84.652; 69.915
1800Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang
Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions
Green Chem., 2016, 18, 4216
7225170 CIFC50 H68 N14 O16 Zn2I m -328.6573; 28.6573; 28.6573
90; 90; 90
23534.5Han, Yun-Hu; Zhou, Zhong-Yuan; Tian, Chong-Bin; Du, Shao-Wu
A dual-walled cage MOF as an efficient heterogeneous catalyst for the conversion of CO2under mild and co-catalyst free conditions
Green Chem., 2016, 18, 4086
7225274 CIFC19 H21 N3 OC 1 2/c 111.725; 17.259; 16.041
90; 90.789; 90
3245.8Lezana, Nicolás; Matus-Pérez, Massiel; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo
Highly stereoselective and catalyst-free synthesis of annulated tetrahydropyridines by intramolecular imino-Diels–Alder reaction under microwave irradiation in water
Green Chem., 2016, 18, 3712
7225275 CIFC55 H81 N2 Nd O5P -113.61; 15.446; 15.506
98.661; 107.06; 112.68
2743.8Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming
Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide
Green Chem., 2016, 18, 4270
7225276 CIFC55 H79 N2 O4 YP 1 21/n 115.2272; 14.1936; 24.434
90; 99.252; 90
5212.2Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming
Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide
Green Chem., 2016, 18, 4270
7225277 CIFC142 H214 N4 Nd2 O10 ZnC 1 2/c 125.713; 25.211; 25.54
90; 115.838; 90
14901Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming
Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide
Green Chem., 2016, 18, 4270
7225288 CIFC18 H33 B2 F8 Ir N4 O2P -18.6729; 11.3034; 13.751
85.039; 74.421; 78.507
1271.7Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can
Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand
Green Chem., 2016, 18, 4553
7225401 CIFC10 H10 O5P 1 21/c 110.6927; 7.81215; 10.6458
90; 95.5149; 90
885.16Bai, Yinjuan; De bruyn, Mario; Clark, James H.; Dodson, Jennifer R.; Farmer, Thomas J.; Honoré, Mathilde; Ingram, Ian D. V.; Naguib, Mohamed; Whitwood, Adrian C.; North, Michael
Ring opening metathesis polymerisation of a new bio-derived monomer from itaconic anhydride and furfuryl alcohol
Green Chem., 2016, 18, 3945
7225495 CIFC15 H11 N OP 1 21/n 113.2486; 7.0891; 13.5496
90; 114.155; 90
1161.2Shi, Qing; Li, Pinhua; Zhu, Xianjin; Wang, Lei
Decarboxylative/decarbonylative C3-acylation of indoles via photocatalysis: a simple and efficient route to 3-acylindoles
Green Chem., 2016, 18, 4916
7225644 CIFC17 H17 Br O2P -19.5598; 9.6393; 18.0624
75.207; 81.884; 72.871
1533.97Chen, Dao-Qian; Guo, Chun-Huan; Zhang, Heng-Rui; Jin, Dong-Po; Li, Xue-Song; Gao, Pin; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min
A metal-free transformation of alkynes to carbonyls directed by remote OH group
Green Chem., 2016, 18, 4176
7225655 CIFC16 H8 F3 I N0 O2P 1 21/c 110.392; 15.7128; 9.0091
90; 102.556; 90
1435.9Ni, Shengyang; Cao, Jia; Mei, Haibo; Han, Jianlin; Li, Shuhua; Pan, Yi
Sunlight-promoted cyclization versus decarboxylation in the reaction of alkynoates with N-iodosuccinimide: easy access to 3-iodocoumarins
Green Chem., 2016, 18, 3935
7225779 CIFC17 H12 O2P -17.1649; 7.1976; 25.276
92.384; 92.571; 90.05
1301Zhang, Wen-Zhen; Yang, Ming-Wang; Lu, Xiao-Bing
Carboxylative cyclization of substituted propenyl ketones using CO2: transition-metal-free synthesis of α-pyrones
Green Chem., 2016, 18, 4181
7225883 CIFC32 H27 Br Cl3 O PP 1 21/c 112.9435; 13.19; 17.35
90; 96.085; 90
2945.4Liu, Shiyao; Suematsu, Naoki; Maruoka, Keiji; Shirakawa, Seiji
Design of bifunctional quaternary phosphonium salt catalysts for CO2fixation reaction with epoxides under mild conditions
Green Chem., 2016, 18, 4611
7225884 CIFC22 H18 O2P 1 21/c 18.8686; 6.9699; 27.0903
90; 98.69; 90
1655.32Zhang, Zhenbei; Sun, Qiangsheng; Xu, Daqian; Xia, Chungu; Sun, Wei
Direct halogenative dearomatization of 2-naphthols by NXS (X = Cl, Br) in water
Green Chem., 2016, 18, 5485
7225942 CIFC16 H13 Br Cl F3 N2I 1 2/a 122.7475; 11.3014; 27.0251
90; 104.181; 90
6735.9Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225943 CIFC9 H10 Br I N2C 1 2/c 116.4865; 10.7791; 13.0845
90; 110.686; 90
2175.3Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225944 CIFC9 H11 Br N2C 1 2/c 116.7925; 8.3062; 15.0809
90; 108.294; 90
1997.2Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225945 CIFC9 H11 Br N2P 1 21/c 17.4282; 14.952; 8.9188
90; 94.547; 90
987.46Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225946 CIFC8 H7 Br N2P 1 21/c 13.9883; 17.853; 11.2011
90; 91.622; 90
797.23Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225947 CIFC8 H8 Br I N2P 1 21/c 16.0553; 14.8323; 12.439
90; 103.295; 90
1087.25Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225948 CIFC12 H11 Br Cl F3 N2P -111.0563; 11.1805; 12.0711
98.874; 103.353; 103.781
1375Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225949 CIFC9 H6 Cl F3 N2I 1 2/a 112.0869; 8.1608; 19.776
90; 102.192; 90
1906.7Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7225950 CIFC8 H7 N3 O2R -324.304; 24.304; 6.8579
90; 90; 120
3508.1Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7226057 CIFC8 H8 O2P 1 21/n 16.6884; 7.6318; 12.9438
90; 100.414; 90
649.83Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.
Synthesis of phenols from hydroxymethylfurfural (HMF)
Green Chem., 2016, 18, 5800
7226058 CIFC11 H14 O3P 1 21/c 14.5985; 20.751; 10.2612
90; 91.893; 90
978.6Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.
Synthesis of phenols from hydroxymethylfurfural (HMF)
Green Chem., 2016, 18, 5800
7226098 CIFC8 H12 O6P 1 21/c 17.8642; 4.0675; 14.5155
90; 96.896; 90
460.96Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert
Methyl vinyl glycolate as a diverse platform molecule
Green Chem., 2016, 18, 5448
7226477 CIFC13 H13 N3 OP 1 21/n 113.5515; 3.9004; 20.9865
90; 94.725; 90
1105.5Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula
Eco-friendly synthesis of indo dyes mediated by a bacterial laccase
Green Chem., 2016, 18, 6063
7226516 CIFC27 H18 N2 O7 ZnP 21 21 215.7341; 19.19; 8.3925
90; 90; 90
2534Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu
Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks
Green Chem., 2016, 18, 5418
7226517 CIFC28 H18 N2 O8 Zn2P 4/m m m10.8088; 10.8088; 16.283
90; 90; 90
1902.3Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu
Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks
Green Chem., 2016, 18, 5418
7226602 CIFC27 H22 N2 OC 1 2/c 118.7062; 8.1149; 28.815
90; 106.281; 90
4198.7Mishra, Pawan K.; Verma, Akhilesh K.
Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium
Green Chem., 2016, 18, 6367
7226670 CIFC36.75 H35 Br N2 OP -19.5392; 12.9758; 13.6796
95.066; 96.544; 107.057
1595Sarkar, Piyali; Mukhopadhyay, Chhanda
The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core
Green Chem., 2016, 18, 6556
7226726 CIFC20 H17 P SP 1 21/n 114.697; 6.6112; 17.826
90; 96.96; 90
1719.3Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco
Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes
Green Chem., 2016, 18, 4896
7226727 CIFC22 H27 O PP 1 21 15.719; 17.9432; 9.0209
90; 99.0333; 90
914.22Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco
Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes
Green Chem., 2016, 18, 4896
7226749 CIFC9 H13 N3 O2P 1 21/c 17.3261; 20.1659; 13.1676
90; 102.555; 90
1898.8Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.
Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides
Green Chem., 2016, 18, 6630
7226750 CIFC8 H10 Br N3 OP 1 21/c 14.18964; 21.1953; 10.4364
90; 95.814; 90
921.99Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.
Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides
Green Chem., 2016, 18, 6630
7226751 CIFC8 H10 Cl N3 OP 1 21/c 14.1274; 20.8167; 10.4887
90; 95.909; 90
896.39Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.
Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides
Green Chem., 2016, 18, 6630
7226790 CIFC30 H22 O2P n a 2115.6898; 10.314; 13.7275
90; 90; 90
2221.45Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson
The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans
Green Chem., 2016, 18, 6648
7226791 CIFC29 H19 F OP -111.309; 12.473; 16.361
111.827; 92.561; 104.099
2054.3Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson
The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans
Green Chem., 2016, 18, 6648
7226792 CIFC29 H19 Cl OP 1 21/c 19.5556; 18.935; 11.627
90; 96.866; 90
2088.6Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson
The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans
Green Chem., 2016, 18, 6648
7226822 CIFC27 H26 N4 O6 SP 1 21/n 117.4184; 8.2542; 18.8202
90; 104.911; 90
2614.8Liu, Xihong; Yang, Dongxu; Wang, Kezhou; Zhang, Jinlong; Wang, Rui
A catalyst-free 1,3-dipolar cycloaddition of C,N-cyclic azomethine imines and 3-nitroindoles: an easy access to five-ring-fused tetrahydroisoquinolines
Green Chem., 2017, 19, 82
7226888 CIFC16 H11 N3 OP 1 21 14.958; 21.437; 12.165
90; 98.132; 90
1280Xie, Yu-Yang; Wang, Ying-Chun; He, Yan; Hu, Da-Chao; Wang, Heng-Shan; Pan, Ying-Ming
Catalyst-free synthesis of fused 1,2,3-triazole and isoindoline derivatives via an intramolecular azide‒alkene cascade reaction
Green Chem., 2017, 19, 656
7226889 CIFC19 H13 NP 1 21/n 18.4892; 17.7731; 9.0884
90; 107.345; 90
1308.9Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng
Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines
Green Chem., 2016, 18, 6241
7226890 CIFC19 H12 Cl NP -17.5233; 9.2661; 11.5013
109.068; 96.475; 105.036
714.5Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng
Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines
Green Chem., 2016, 18, 6241

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