Crystallography Open Database

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7245718 CIFC14 H13 N3 O2 SP 1 21/n 18.3551; 11.7955; 14.748
90; 104.633; 90
1406.3Feng, Guipeng; Meng, Jie; Xu, Shaohong; Gao, Yao; Zhu, Yingying; Huang, Ziyu
Copper-catalyzed cross coupling reaction of sulfonyl hydrazides with 3-aminoindazoles
RSC Advances, 2022, 12, 30432-30435
7245719 CIFC21 H22 Br N3 O3P -16.068; 13.0347; 13.5866
103.302; 95.6327; 103.29
1004.76Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.
Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones
RSC Advances, 2022, 12, 30404-30415
7245720 CIFC22 H25 N3 O4C 1 2/c 117.3963; 22.485; 14.0877
90; 127.746; 90
4357.3Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.
Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones
RSC Advances, 2022, 12, 30404-30415
7245727 CIFFe4 K6 S8P n m a7.1219; 10.9301; 11.484
90; 90; 90
893.95Ghazanfari, Mohammad R.; Santhosh, Archa; Vrijmoed, Johannes C.; Siemensmeyer, Konrad; Peters, Bertram; Dehnen, Stefanie; Jerabek, Paul; Thiele, Günther
Large-scale synthesis of mixed valence K3[Fe2S4] with high dielectric and ferrimagnetic characteristics
RSC Advances, 2022, 12, 30514-30521
7245731 CIFC17 H14 N4 OC 1 2/c 110.9221; 11.2501; 12.3823
90; 112.92; 90
1401.4Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions
RSC Advances, 2022, 12, 30712-30721
7245732 CIFC17 H14 Br2 N4P -17.8514; 8.4149; 13.4259
100.609; 105.51; 95.703
829.71Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions
RSC Advances, 2022, 12, 30712-30721
7245733 CIFC17 H15 Cl Cu N2 O6.5P -18.596; 10.119; 12.532
97.262; 105.219; 111.17
950.8Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.
Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity
RSC Advances, 2022, 12, 30722-30733
7245734 CIFC19 H15 Cl Cu N4 O6P 1 21/n 110.16; 9.5194; 20.454
90; 102.925; 90
1928.1Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.
Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity
RSC Advances, 2022, 12, 30722-30733
7245735 CIFC22 H17 NP 1 21/n 17.0452; 9.2637; 23.462
90; 90.102; 90
1531.2Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng
Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water
RSC Advances, 2022, 12, 30248-30252
7245736 CIFC15 H11 N OC 1 2/c 118.473; 6.0831; 19.451
90; 100.583; 90
2148.6Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng
Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water
RSC Advances, 2022, 12, 30248-30252
7245737 CIFC22 H28 N2 O2R -3 :H22.8147; 22.8147; 10.5217
90; 90; 120
4742.9Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng
Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water
RSC Advances, 2022, 12, 30248-30252
7245738 CIFEu0.02 F Na0.53 Y0.45P 63/m5.985309; 5.985309; 3.52072
90; 90; 120
109.228Ling, Shaokun; Chen, Chang; Meng, Kai; Yan, Yifeng; Ming, Junyun; Liao, Sen; Huang, Yingheng
A crystal defect led zero thermal quenching β-NaYF4 : Eu3+,Dy3+ red emitting phosphor
RSC Advances, 2022, 12, 30803-30816
7245746 CIFC11 H22 Cl N OP 1 21/c 116.6281; 6.4734; 11.5542
90; 103.171; 90
1210.98Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich
Annulated carbamates are precursors for the ring contraction of the adamantane framework
RSC Advances, 2022, 12, 31056-31060
7245747 CIFC15 H25 N O2P 1 21/c 112.2381; 11.7529; 10.0683
90; 105.123; 90
1398Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich
Annulated carbamates are precursors for the ring contraction of the adamantane framework
RSC Advances, 2022, 12, 31056-31060
7245748 CIFC11 H22 Cl N OP -116.5645; 6.4393; 11.5062
90.714; 102.949; 90.789
1195.82Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich
Annulated carbamates are precursors for the ring contraction of the adamantane framework
RSC Advances, 2022, 12, 31056-31060
7245795 CIFC15 H16 Br N O5P -18.5887; 10.3821; 10.6032
96.304; 112.149; 105.649
819.19Weng, Zhibing; Zhou, Ying; Yue, Xin; Jiang, Feng; Guo, Wengang
Regioselective α-addition of vinylogous α-ketoester enolate in organocatalytic asymmetric Michael reactions: enantioselective synthesis of Rauhut–Currier type products
RSC Advances, 2022, 12, 32056-32060
7245796 CIFC29 H31 Cl2 N O4 SnP 1 21/c 110.638; 17.168; 18.399
90; 120.573; 90
2893.1Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245797 CIFC15 H43 N5 Ni O11P 21 21 2110.7412; 12.9279; 19.3249
90; 90; 90
2683.5Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245798 CIFC14 H32 Cu N2 O6P 1 21 14.96; 22.0851; 8.5898
90; 98.147; 90
931.45Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245799 CIFC48 H66 Cl6 Co3 N6 O6P 21 21 2114.3688; 16.6075; 24.609
90; 90; 90
5872.4Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245800 CIFC24 H32 Cl3 N3 O3 Zn2P 1 21 110.264; 9.025; 15.089
90; 91.457; 90
1397.3Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245801 CIFC36 H98 Co3 N6 O17.5C 1 2 124.516; 13.4214; 17.9973
90; 109.287; 90
5589.5Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245802 CIFC32 H41 Cl2 Cu2 N4 O13P 21 21 219.134; 15.3961; 28.66
90; 90; 90
4030.4Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245803 CIFC18 H45 Cl2 N3 O3 ZnP 21 21 2111.3519; 14.6691; 16.658
90; 90; 90
2773.9Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.
Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols
RSC Advances, 2022, 12, 32119-32128
7245804 CIFC29 H28 N2 O6P -19.3636; 11.4375; 13.7029
108.892; 90.756; 111.651
1275.75Chen, Zuliang; Yan, Keyi; Luo, Hui; Yan, Jun; Zeng, Yang
Lewis acid-catalyzed [4 + 2] cycloaddition of donor–acceptor cyclobutanes with iminooxindoles: access to spiro[piperidine-3,2′-oxindoles]
RSC Advances, 2022, 12, 32097-32101
7245805 CIFC14 H16 F2 N2 O3P -18.279; 8.808; 10.5654
110.521; 98.07; 95.404
705.82Lu, Yang; Sun, Mingming; Xi, Ning
Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts
RSC Advances, 2022, 12, 32082-32096
7245806 CIFC11 H8 F2 N2 O5P 1 21/n 110.7705; 9.1548; 12.1836
90; 108.428; 90
1139.72Lu, Yang; Sun, Mingming; Xi, Ning
Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts
RSC Advances, 2022, 12, 32082-32096
7245827 CIFC29 H35 B Cl PP -112.0911; 13.1217; 15.7545
87.774; 85.421; 89.485
2489.64Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.
Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides
RSC Advances, 2022, 12, 32440-32447
7245828 CIFC29 H37 B Br0.5 O PP -110.031; 12.2645; 12.4476
69.305; 66.304; 73.148
1292.08Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.
Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides
RSC Advances, 2022, 12, 32440-32447
7245829 CIFC16 H15 N6 Ni S4P 1 21/c 110.5716; 7.2583; 26.5198
90; 93.924; 90
2030.1Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.
Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity
RSC Advances, 2022, 12, 32475-32479
7245830 CIFC16 H15 N6 Ni S4P 1 21/c 110.7039; 7.4586; 26.8087
90; 93.095; 90
2137.18Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.
Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity
RSC Advances, 2022, 12, 32475-32479
7245840 CIFC18 H15 O P SP -16.19; 8.426; 16.517
100.248; 96.034; 108.478
791.9Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu
Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides
RSC Advances, 2022, 12, 32350-32354
7245841 CIFC12 H11 O2 PP 1 21/c 111.482; 6.0814; 15.777
90; 99.883; 90
1085.3Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu
Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides
RSC Advances, 2022, 12, 32350-32354
7245865 CIFC31 H28 N6 OP -18.156; 9.356; 19.728
101.682; 92.413; 114.101
1332.5Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
RSC Advances, 2022, 12, 33032-33048
7245866 CIFC24 H19 N3 OP 1 21/c 114.714; 16.279; 7.7182
90; 94.98; 90
1841.8Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
RSC Advances, 2022, 12, 33032-33048
7245867 CIFC26 H19 N5 OP 1 21/c 111.971; 14.236; 12.823
90; 101.08; 90
2145Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
RSC Advances, 2022, 12, 33032-33048
7245868 CIFC28 H22 N6P 1 21/c 110.4257; 13.8104; 16.57
90; 101.663; 90
2336.5Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
RSC Advances, 2022, 12, 33032-33048
7245869 CIFC30 H26 N6 O3P 1 21/n 110.0883; 12.467; 20.6411
90; 100.785; 90
2550.2Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
RSC Advances, 2022, 12, 33032-33048
7245872 CIFC33 H29 N3 O3P -17.1229; 12.8851; 15.0472
92.354; 103.338; 91.502
1341.7Li, Jie; Huang, Jiu Hong; Wang, Jing Ya; Xu, Zhi Gang; Chen, Zhong Zhu; Lei, Jie
An intramolecular hydrogen bond-promoted “green” Ugi cascade reaction for the synthesis of 2,5-diketopiperazines with anticancer activity
RSC Advances, 2022, 12, 33175-33179
7245873 CIFC20 H24 Mo N3 O5P n a 2113.7533; 20.0569; 7.505
90; 90; 90
2070.2Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis
Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)
RSC Advances, 2022, 12, 33293-33303
7245874 CIFC20 H17 Mo N2 O5P 1 21/c 17.7042; 16.2189; 14.9336
90; 102.051; 90
1824.89Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis
Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)
RSC Advances, 2022, 12, 33293-33303
7245891 CIFC4 Cl N7 O10P 1 21/n 113.84; 12.1903; 14.668
90; 110.697; 90
2315Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245892 CIFC6 H5 Cl N4 O5P 1 21/c 112.292; 5.0976; 14.985
90; 97.479; 90
931Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245893 CIFC4 H2 N8 O10P 1 21/n 115.6313; 9.2702; 15.7637
90; 98.696; 90
2258Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245894 CIFC4 H4 N6 O11P -17.6403; 7.7898; 11.2231
78.002; 80.654; 62.508
577.88Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245895 CIFC4 Cl N7 O10P 1 21/c 113.9214; 6.9287; 13.9386
90; 114.823; 90
1220.26Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245896 CIFC6 H7 N5 O5P 1 21/c 14.4834; 20.756; 9.7107
90; 97.924; 90
895.02Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245897 CIFC4 H5 N5 O4P 1 c 14.0966; 12.015; 7.3348
90; 100.207; 90
355.31Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245898 CIFC4 N8 O9P 1 21/n 18.4799; 11.5935; 10.6812
90; 93.431; 90
1048.2Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312
7245899 CIFC5 H3 N9 O12P b c a6.2349; 19.5174; 21.975
90; 90; 90
2674.1Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang
A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances
RSC Advances, 2022, 12, 33304-33312

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