Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7063135 | CIF | C43 H51 Cl N4 O2 | C 1 2/c 1 | 30.3974; 15.2528; 22.3991 90; 131.851; 90 | 7735.8 | Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines New Journal of Chemistry, 2024, 48, 8578-8588 |
7063136 | CIF | C40 H44 Cl4 N4 O2 | P -1 | 9; 10.1845; 22.4129 102.547; 92.908; 106.702 | 1906.59 | Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines New Journal of Chemistry, 2024, 48, 8578-8588 |
7063137 | CIF | C50 H48 Cl4 F2 N4 O2 | P -1 | 9.9554; 15.264; 15.9425 76.061; 83.579; 84.782 | 2331.4 | Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines New Journal of Chemistry, 2024, 48, 8578-8588 |
7063138 | CIF | C49 H45 Cl F2 N4 O2 | C 1 2/c 1 | 30.7033; 26.4439; 11.6452 90; 111.377; 90 | 8804.4 | Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines New Journal of Chemistry, 2024, 48, 8578-8588 |
7063139 | CIF | C22 H27 N3 O2 | P 1 21/n 1 | 8.9704; 14.6873; 14.7777 90; 97.741; 90 | 1929.23 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063140 | CIF | C34 H39 N3 O3 | P -1 | 11.1718; 11.1929; 12.4287 86.208; 68.959; 88.712 | 1447.34 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063141 | CIF | C44 H56 N8 O6 | P -1 | 8.6855; 9.154; 13.8725 105.506; 102.442; 90.015 | 1035.89 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063142 | CIF | C22 H26 N4 O2 | C 1 2/c 1 | 29.852; 8.3792; 16.947 90; 106.99; 90 | 4054 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063143 | CIF | C30 H31 N3 O2 | P 1 21/n 1 | 14.386; 7.518; 22.733 90; 101.2; 90 | 2412 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063144 | CIF | C36 H47 N4 O4 | P -1 | 12.272; 12.5331; 13.7088 72.235; 66.451; 65.232 | 1730.9 | Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing “One-pot” synthesis of oligopyrrolic dialdehydes New Journal of Chemistry, 2024, 48, 8153-8157 |
7063145 | CIF | C39 H50 Cu2 N6 O8 S2 | C 1 2 1 | 15.6411; 13.1656; 11.8497 90; 90.727; 90 | 2439.9 | Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Shengbin; Zhang, Kaiming; Jiang, Weidong Micelle-modulated reactivity of novel copper(ii) complexes with reduced l-histidine Schiff bases as mimic carboxylesterases New Journal of Chemistry, 2024, 48, 8445-8453 |
7063146 | CIF | C138 H167 Br8 Cu8 N37 O32 | P 1 21 1 | 19.0845; 14.0567; 35.0169 90; 91.231; 90 | 9391.64 | Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Shengbin; Zhang, Kaiming; Jiang, Weidong Micelle-modulated reactivity of novel copper(ii) complexes with reduced l-histidine Schiff bases as mimic carboxylesterases New Journal of Chemistry, 2024, 48, 8445-8453 |
7063147 | CIF | Bi2.49 Cl Na2.51 O12 P3 | P -6 | 9.7197; 9.7197; 13.8019 90; 90; 120 | 1129.21 | Belokoneva, Elena L.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.; Govorko, Nadezhda B. Hydrothermally synthesized first acentric apatite (Bi5Na5)[PO4]6Cl2 with wide Bi–Na isomorphism and doubled c-axis New Journal of Chemistry, 2024, 48, 7940-7945 |
7063148 | CIF | C5 H6 N10 O4 | P 1 21/n 1 | 11.6674; 7.3765; 11.8952 90; 93.965; 90 | 1021.3 | Wang, Shaoqing; Li, Congcong; Li, Shaojia; Yin, Hongquan; Ma, Qing; Chen, Fu-Xue A heat-resistant explosive featuring an N,N′-ethylene bridged 1,2,4-1H-triazole fused ring New Journal of Chemistry, 2024, 48, 7562-7565 |
7063149 | CIF | C39 H20 F10 N2 | P 1 21 1 | 10.3159; 30.2698; 15.1352 90; 103.948; 90 | 4586.8 | Cao, Jing; Zhang, Wenhao; Ding, Yeda; Zhang, Xuejin; Zhang, Yuanyuan; Qiao, Dan; Biao, Shumin; Dong, Xuefei; Song, Jiayi; Dai, Gaole; Zhao, Ruiguo; Wang, Qing Perylene with peripherally fused pyrrole and pyridine: columnar packing, anti-Kasha dual emission and reactive oxygen species generation New Journal of Chemistry, 2024, 48, 9014-9019 |
7063150 | CIF | C28 H30 N4 O4 S2 Zn | P 1 21/c 1 | 11.2469; 12.7175; 9.8919 90; 102.639; 90 | 1380.58 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063151 | CIF | C29 H31 N5 O5 S Zn | P -1 | 7.6502; 13.4372; 14.9144 82.689; 80.642; 76.138 | 1462.45 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063152 | CIF | C33 H41.5 N6.5 O4 Zn | P -1 | 10.5552; 12.0176; 13.4817 72.156; 86.674; 86.036 | 1622.75 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063153 | CIF | C30 H31 N5 O4 Zn | P -1 | 7.9815; 12.012; 15.0991 81.099; 79.411; 85.675 | 1404.17 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063154 | CIF | C32 H38 N4 O4 Zn | P -1 | 10.4859; 11.0143; 13.4761 104.223; 94.428; 94.244 | 1497.23 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063155 | CIF | C25 H24 N4 O4 Zn | P 1 21/n 1 | 10.9883; 12.068; 17.4386 90; 98.953; 90 | 2284.3 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063156 | CIF | C27 H27 N5 O4 Zn | P -1 | 7.9372; 11.9685; 15.1081 79.394; 79.461; 82.938 | 1380.97 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063157 | CIF | C28 H31 N5 O5 Zn | P 1 21/c 1 | 7.9223; 22.5925; 15.2268 90; 102.82; 90 | 2657.4 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063158 | CIF | C36 H42 N8 O6 Zn | P -1 | 8.571; 10.9044; 10.9382 108.531; 108.117; 96.396 | 895.82 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063159 | CIF | C39 H39 N7 O4 Zn | P -1 | 7.6458; 15.0408; 16.2179 72.152; 81.18; 80.559 | 1740.66 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063160 | CIF | C31 H37.5 N6.5 O4 Zn | P -1 | 10.4192; 14.5738; 20.2693 78.682; 87.613; 86.401 | 3010.68 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063161 | CIF | C42 H43 N7 O4 Zn | P 1 21/n 1 | 13.6149; 10.8328; 25.0497 90; 93.326; 90 | 3688.29 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063162 | CIF | C24.66 H22.4 N5.34 O4.2 Zn | P -1 | 8.1567; 9.952; 15.1357 77.896; 78.984; 84.021 | 1176.56 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063163 | CIF | C28 H29 N5 O5 Zn | P -1 | 7.6949; 13.1323; 15.2125 77.884; 78.618; 77.812 | 1450.17 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063164 | CIF | C36 H46 N8 O6 Zn | P -1 | 7.8233; 11.2495; 20.2794 87.078; 85.696; 86.042 | 1773.59 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063165 | CIF | C44 H50 N8 O6 Zn | P -1 | 7.9641; 10.7052; 12.7812 101.629; 101.475; 101.582 | 1012.52 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063166 | CIF | C8 H15 N3 O | P 1 21 1 | 4.9628; 12.4177; 7.5022 90; 100.98; 90 | 453.871 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063167 | CIF | C36 H42 N8 O6 Zn | P 1 21/n 1 | 13.7663; 7.4819; 17.7683 90; 103.158; 90 | 1782.05 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063168 | CIF | C32 H36 N6 O6 Zn | P 1 21/n 1 | 9.9752; 11.1948; 14.1436 90; 105.524; 90 | 1521.8 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063169 | CIF | C44 H50 N8 O6 Zn | P 1 21/c 1 | 11.269; 17.3987; 11.4134 90; 115.978; 90 | 2011.68 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063170 | CIF | C64 H70 N14 O10 Zn2 | P -1 | 7.346; 13.6349; 15.732 90.652; 96.81; 96.254 | 1554.85 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063171 | CIF | C36 H42 N8 O6 Zn | P -1 | 10.5815; 12.3264; 13.5644 86.699; 87.372; 82.306 | 1749.09 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines New Journal of Chemistry, 2024, 48, 8844-8859 |
7063172 | CIF | C18 H49 B12 N O2 | P b c a | 17.1; 15.16; 22.21 90; 90; 90 | 5758 | Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T. Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis New Journal of Chemistry, 2024, 48, 8361-8370 |
7063173 | CIF | C19 H51 B12 N O2 | P 1 21/n 1 | 9.167; 21.48; 14.716 90; 95.05; 90 | 2886 | Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T. Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis New Journal of Chemistry, 2024, 48, 8361-8370 |
7063174 | CIF | C23 H51 B12 N O2 | P 1 21/c 1 | 17.052; 11.397; 16.762 90; 107.565; 90 | 3105.7 | Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T. Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis New Journal of Chemistry, 2024, 48, 8361-8370 |
7063175 | CIF | C20 H52 B12 N O2 | P 1 21/n 1 | 9.3412; 21.862; 14.5823 90; 95.341; 90 | 2965 | Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T. Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis New Journal of Chemistry, 2024, 48, 8361-8370 |
7063176 | CIF | C9 H20 N O5 | P 1 21/n 1 | 5.4015; 14.376; 14.421 90; 94.264; 90 | 1116.7 | Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit Solvent and stoichiometry-dependent versatile organogelation and robust crystallization from the supramolecular association of adipic acid and triethanolamine New Journal of Chemistry, 2024, 48, 9322-9332 |
7063177 | CIF | C18 H40 N2 O10 | P 1 21/n 1 | 5.3882; 14.1701; 14.4214 90; 95.402; 90 | 1096.2 | Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit Solvent and stoichiometry-dependent versatile organogelation and robust crystallization from the supramolecular association of adipic acid and triethanolamine New Journal of Chemistry, 2024, 48, 9322-9332 |
7063178 | CIF | C20 H20 N2 O3 | P 21 21 21 | 7.7915; 12.8038; 17.2663 90; 90; 90 | 1722.5 | Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols New Journal of Chemistry, 2024, 48, 8667-8671 |
7063179 | CIF | C3.17 H2.67 Br0.17 N0.33 O0.33 | C 1 2/c 1 | 21.8407; 6.7167; 24.668 90; 109.105; 90 | 3419.41 | Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols New Journal of Chemistry, 2024, 48, 8667-8671 |
7063180 | CIF | C36 H29 F N4 O3 | P 1 21/n 1 | 11.1333; 11.4934; 22.104 90; 91.27; 90 | 2827.7 | Baddepuri, Sravanthi; Gamidi, Rama Krishna; Kumari, Jyothi; Sriram, Dharmarajan; Basavoju, Srinivas Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions New Journal of Chemistry, 2024, 48, 9970-9980 |
7063181 | CIF | C15 H12 N2 O | P 1 21/c 1 | 10.8378; 7.4709; 15.5056 90; 103.094; 90 | 1222.8 | Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M. KHMDS mediated ring-opening/reconstruction of anthranils with arylacetonitriles: synthesis of multisubstituted 2-aminoquinoline N-oxides New Journal of Chemistry, 2024, 48, 8574-8577 |
7063182 | CIF | C21 H15 Cl N2 O | P 21 21 21 | 7.2658; 7.9217; 29.7691 90; 90; 90 | 1713.43 | Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M. KHMDS mediated ring-opening/reconstruction of anthranils with arylacetonitriles: synthesis of multisubstituted 2-aminoquinoline N-oxides New Journal of Chemistry, 2024, 48, 8574-8577 |
7063183 | CIF | C26 H21 N3 O Se | P 1 21/n 1 | 15.8116; 7.3706; 20.2225 90; 111.506; 90 | 2192.7 | Choudhuri, Tathagata; Paul, Suvam; Sikdar, Papiya; Das, Sourav; Sawant, Sanghapal D.; Bagdi, Avik Kumar I2-Catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines New Journal of Chemistry, 2024, 48, 9480-9485 |
7063184 | CIF | C30 H24 Br4 N2 Ni O2 | C 1 2 1 | 14.043; 10.9134; 10.1076 90; 116.942; 90 | 1380.9 | Das, Arpita; Maity, Ribhu; Sarkar, Tuhin; Das, Priyanka; Brandao, Paula; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches New Journal of Chemistry, 2024, 48, 10226-10238 |
7063185 | CIF | C16 H13 N O | P -1 | 7.4062; 7.8098; 10.9025 101.137; 93.235; 96.394 | 612.92 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024, 48, 9981-9989 |
7063186 | CIF | C11 H11 N O | C 1 2/c 1 | 13.5293; 7.3263; 19.0986 90; 99.741; 90 | 1865.75 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024, 48, 9981-9989 |
7063187 | CIF | C21 H14 Br N O | P -1 | 8.6408; 9.9341; 10.3685 98.203; 101.166; 103.107 | 834.05 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024, 48, 9981-9989 |
7063188 | CIF | C16 H18 Cl2 Cu N6 O | P -1 | 8.2703; 9.9089; 12.7807 71.309; 73.3; 76.991 | 940.02 | Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath Triazine-based mononuclear copper(ii) cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities New Journal of Chemistry, 2024, 48, 11647-11661 |
7063189 | CIF | C15 H16 Br2 Cu N6 O | P 1 21/c 1 | 11.651; 8.625; 17.945 90; 93.08; 90 | 1801 | Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath Triazine-based mononuclear copper(ii) cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities New Journal of Chemistry, 2024, 48, 11647-11661 |
7063190 | CIF | C97 H33 N2 | P 1 21/n 1 | 10.6964; 15.0127; 33.7803 90; 92.748; 90 | 5418.3 | Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Monomers and dimers of fullerenes in the radical anion salts with dyes, (astrophloxine+)2(C60˙−)2 and (astrophloxine+)2(C70−)2: suppression of the C60˙− dimerization by π-stacking New Journal of Chemistry, 2024, 48, 10002-10009 |
7063191 | CIF | C186 H84 Cl2 N4 | P -1 | 13.9175; 19.587; 20.4465 89.537; 85.172; 88.474 | 5551.9 | Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Monomers and dimers of fullerenes in the radical anion salts with dyes, (astrophloxine+)2(C60˙−)2 and (astrophloxine+)2(C70−)2: suppression of the C60˙− dimerization by π-stacking New Journal of Chemistry, 2024, 48, 10002-10009 |
7063192 | CIF | C21 H23 Cl N6 O5 Zn | P 1 21/n 1 | 7.6526; 22.902; 13.4603 90; 95.463; 90 | 2348.3 | Singh, Simranjeet; Choudhary, Mukesh Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein New Journal of Chemistry, 2024, 48, 9287-9313 |
7063193 | CIF | C38 H30 N8 O2 Zn | P 1 21/n 1 | 11.1706; 16.9294; 17.7601 90; 98.832; 90 | 3318.8 | Singh, Simranjeet; Choudhary, Mukesh Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein New Journal of Chemistry, 2024, 48, 9287-9313 |
7063194 | CIF | C8 H6 Cl N6 O9 Ru | P -1 | 11.832; 10.309; 7.057 100.36; 103.78; 73.31 | 795 | Alhadhrami, Abdulrahman Nano-crystallites of a ruthenium(iii) violurate complex: synthesis, characterization, PXRD and DFT structural analysis. DNA/HSA-binding, antiviral activity against COVID-19 and molecular docking study New Journal of Chemistry, 2024, 48, 9718-9737 |
7063195 | CIF | C36 H44 Co F6 N2 P3 S4 | C 1 2/c 1 | 17.4123; 17.6371; 14.0413 90; 108.348; 90 | 4092.9 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024, 48, 9366-9375 |
7063196 | CIF | C40 H52 Co F6 N2 P3 S4 | I 1 2/a 1 | 16.504; 16.1848; 18.6771 90; 116.071; 90 | 4481.3 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024, 48, 9366-9375 |
7063197 | CIF | C44 H60 Co F6 N2 P3 S4 | P -1 | 12.2405; 13.8324; 16.1225 71.561; 84.15; 89.844 | 2574.9 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024, 48, 9366-9375 |
7063198 | CIF | C14 H10 N2 O | P 1 21/n 1 | 6.5833; 13.825; 24.715 90; 91.627; 90 | 2248.5 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024, 48, 10213-10225 |
7063199 | CIF | C15 H13 I N2 O3 | P 1 21/n 1 | 7.203; 16.679; 13.419 90; 92.582; 90 | 1610.5 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024, 48, 10213-10225 |
7063200 | CIF | C16 H13 F3 N2 O4 S | P -1 | 6.6963; 7.3887; 17.6221 80.201; 81.214; 76.968 | 831.08 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024, 48, 10213-10225 |
7063201 | CIF | C28 H20 N4 O2 | P -1 | 6.4328; 9.342; 9.841 105.347; 105.02; 91.233 | 548.2 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024, 48, 10213-10225 |
7063202 | CIF | C71 H43 Cl20 Cr Fe N8 O2 Sn | P c c n | 18.8458; 29.6617; 27.42 90; 90; 90 | 15327.7 | Finogenov, Daniil N.; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya A.; Konarev, Dmitri V.; Stuzhin, Pavel A. Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties New Journal of Chemistry, 2024, 48, 10067-10073 |
7063203 | CIF | C57 H60 Cl2 S2 | P -1 | 14.4868; 15.5221; 22.5994 75.521; 80.754; 84.376 | 4847.6 | Hara, Yasuto; Kozuka, Kumpei; Imato, Keiichi; Akiyama, Seiji; Ishida, Mio; Ooyama, Yousuke Synthesis, and optical and electrochemical properties of 1,1′,3,3′-tetraaryl-4,4′-bibenzo[c]thiophene derivatives with the same or different aryl substituents on the thiophene rings New Journal of Chemistry, 2024, 48, 9890-9898 |
7063204 | CIF | C129.5 H84 Cu6 N30 O17.5 | P -1 | 12.8621; 14.6778; 17.1404 76.085; 70.053; 81.249 | 2943.8 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024, 48, 8994-8999 |
7063205 | CIF | C121 H112 Cu6 N18 O23 | P -1 | 10.8162; 17.0096; 17.4195 106.572; 100.636; 107.752 | 2793 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024, 48, 8994-8999 |
7063206 | CIF | C138 H88 Cu6 N36 O14 | P -1 | 14.4764; 15.1477; 16.438 106.667; 95.92; 110.424 | 3152.1 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024, 48, 8994-8999 |
7063207 | CIF | C20 H16 N2 O2 | P 1 21/c 1 | 5.9603; 16.543; 16.323 90; 91.415; 90 | 1609 | İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024, 48, 10475-10496 |
7063208 | CIF | C20 H14 N2 Ni O2 | P 21 21 21 | 5.4386; 16.592; 17.27 90; 90; 90 | 1558.4 | İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024, 48, 10475-10496 |
7063209 | CIF | C16 H14 N2 Ni O2 | P b c a | 7.465; 13.788; 26.074 90; 90; 90 | 2683.7 | İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024, 48, 10475-10496 |
7063210 | CIF | C30 H28 I4 N6 Pt2 | C 1 2 1 | 14.136; 8.7735; 17.072 90; 97.292; 90 | 2100.2 | Naskar, Rajat; Mondal, Bhaskar; Sengupta, Diya; Ghosh, Aninda; Garai, Somenath; Maity, Ramananda Dinuclear platinum(ii) complexes with biphenyl-based bis-carbene ligands New Journal of Chemistry, 2024, 48, 10762-10768 |
7063211 | CIF | C20 H23 N O2 | P -1 | 8.0745; 10.6294; 11.2471 102.303; 109.671; 103.453 | 838.09 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure New Journal of Chemistry, 2024, 48, 10748-10755 |
7063212 | CIF | C20 H24 Br N | P b c a | 16.3774; 7.78421; 27.7655 90; 90; 90 | 3539.69 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure New Journal of Chemistry, 2024, 48, 10748-10755 |
7063213 | CIF | C21 H28 Br N3 S | P 1 21/c 1 | 13.7731; 9.3347; 16.8784 90; 98.835; 90 | 2144.27 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure New Journal of Chemistry, 2024, 48, 10748-10755 |
7063214 | CIF | C7 H6 Cu I N4 | C 1 2 1 | 21.0987; 6.1425; 7.414 90; 101.875; 90 | 940.28 | Yang, Hui; Kuang, Xiaofei; Mi, Ying-Hao; Wang, Ming-Ming; Zhao, Yuqing; Lin, Fulin; Lu, Can-Zhong Construction and characterization of an inorganic–organic hybrid copper(i) iodide coordination polymer with semiconducting luminescence New Journal of Chemistry, 2024, 48, 10646-10652 |
7063215 | CIF | C35 H26 F3 N3 O2 | P -1 | 10.8114; 11.3929; 12.8702 106.897; 95.882; 109.726 | 1391.96 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024, 48, 10045-10052 |
7063216 | CIF | C24 H24 N2 O4 | P 1 21/n 1 | 10.8433; 9.7755; 19.606 90; 101.988; 90 | 2032.9 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024, 48, 10045-10052 |
7063217 | CIF | C29 H27 Cl3 N2 O5 | P -1 | 10.0106; 10.5842; 14.4812 76.236; 72.035; 87.625 | 1416.8 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024, 48, 10045-10052 |
7063218 | CIF | C25 H18 Fe N2 O2 | P -1 | 7.3724; 9.8599; 13.615 83.109; 84.277; 85.557 | 975.5 | Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy Effect of the phenyl group on the non-linear optical (NLO) and aggregation induced emission (AIE) properties of ferrocene conjugated linear D–π–A/D–π–A–π–A chromophores New Journal of Chemistry, 2024, 48, 10717-10729 |
7063219 | CIF | C31 H22 Fe N2 O2 | P 1 c 1 | 15.505; 5.9113; 13.0683 90; 103.741; 90 | 1163.5 | Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy Effect of the phenyl group on the non-linear optical (NLO) and aggregation induced emission (AIE) properties of ferrocene conjugated linear D–π–A/D–π–A–π–A chromophores New Journal of Chemistry, 2024, 48, 10717-10729 |
7063220 | CIF | C18 H18 N2 O2 | P 1 21/n 1 | 12.5261; 7.3772; 16.8208 90; 98.222; 90 | 1538.39 | Biswas, Subhamoy; Bora, Surjya Kumar; Arandhara, Pallav Jyoti; Saikia, Anil K. Regioselective synthesis of spiro quinazolinones via sequential hydroalkoxylation and intramolecular amide-cyclization of alkynol ureas New Journal of Chemistry, 2024, 48, 10756-10761 |
7063221 | CIF | C22 H23 Br2 N O3 | P -1 | 8.149; 9.669; 14.769 101.961; 96.161; 95.866 | 1122.5 | Yi, Ze-Yu; Sun, Na; Gu, Peiming; Ji, Yang; Li, Rui Rh2(esp)2-catalyzed three-component reaction of a diazo compound, alkyl azide and allylboronate for the synthesis of homoallylic amine derivatives New Journal of Chemistry, 2024, 48, 9885-9889 |
7063222 | CIF | C24 H16 Br6 N2 O2 | P 1 21/n 1 | 15.2907; 4.0298; 22.1448 90; 106.353; 90 | 1309.33 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024, 48, 10584-10587 |
7063223 | CIF | C24 H16 Cl6 N2 O2 | P -1 | 3.8425; 11.4827; 13.8828 94.128; 94.256; 95.001 | 606.63 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024, 48, 10584-10587 |
7063224 | CIF | C24 H16 F6 N2 O2 | P 1 21/n 1 | 16.4149; 3.8067; 17.2311 90; 99.309; 90 | 1062.53 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024, 48, 10584-10587 |
7063225 | CIF | C66 H39 N6 O13 Zn3 | P -3 1 c | 16.737; 16.737; 15.8689 90; 90; 120 | 3849.75 | Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yue-Chao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian A pacs-type metal–organic framework with high adsorption capacity for inverse C2H6/C2H4 separation New Journal of Chemistry, 2024, 48, 10577-10583 |
7063226 | CIF | C48 H48 N6 Ni3 O13 | P 63/m m c | 16.7926; 16.7926; 14.6396 90; 90; 120 | 3575.2 | Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yue-Chao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian A pacs-type metal–organic framework with high adsorption capacity for inverse C2H6/C2H4 separation New Journal of Chemistry, 2024, 48, 10577-10583 |
7063227 | CIF | C23 H20 N6 O5 S | P -1 | 7.2165; 12.287; 13.0501 72.09; 80.149; 83.652 | 1082.8 | Kohli, Anjum H.; Malik, Asif A.; Ganie, Arshid A.; Dar, Aijaz A. Stimuli-responsive fluorochromic organic salt New Journal of Chemistry, 2024, 48, 11090-11098 |
7063228 | CIF | C24 H61 N4 O12 P3 | P -1 | 9.7371; 12.1048; 15.7768 71.092; 83.131; 87.29 | 1746.5 | Makhlouf, Jawher; El Bakri, Youness; Bian, Wensheng; Ahsin, Atazaz; Al-Salahi, Rashad; Valkonen, Arto; Smirani, Wajda Crystal structure and electronic structure calculations of a novel organic triphosphate complex: excellent electrochemical properties with ultra-efficient lithium storage capacity New Journal of Chemistry, 2024, 48, 10507-10521 |
7063229 | CIF | C38 H41 Cl2 N5 O2 Zn | P 1 21/c 1 | 25.8134; 8.453; 19.2889 90; 105.653; 90 | 4052.8 | Chand, Prem; Kumar, Ashish High-fidelity detection of picric acid following proton prompted fluorescence quenching by a novel acridine yellow G-based binuclear ZnII-metallacycle New Journal of Chemistry, 2024, 48, 11530-11541 |
7063230 | CIF | C32 H34 Cu2 N10 O2 | P -1 | 9.489; 9.759; 10.043 63.432; 89.48; 71.598 | 779.7 | Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents New Journal of Chemistry, 2024, 48, 12877-12892 |
7063231 | CIF | C17 H19 Cu N5 O | P c c n | 13.7472; 28.684; 8.5539 90; 90; 90 | 3373 | Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents New Journal of Chemistry, 2024, 48, 12877-12892 |
7063232 | CIF | C40 H32 Cu N O P2 | P m n 21 | 17.3563; 11.8638; 8.1509 90; 90; 90 | 1678.37 | Moussa, J.; Gontard, G. Novel heteroleptic copper(i) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands New Journal of Chemistry, 2024, 48, 12162-12165 |
7063233 | CIF | C37 H30 Cu N O2 P2 | P 1 21/n 1 | 8.3072; 18.5057; 19.9706 90; 94.867; 90 | 3059.02 | Moussa, J.; Gontard, G. Novel heteroleptic copper(i) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands New Journal of Chemistry, 2024, 48, 12162-12165 |
7063234 | CIF | C96 H86 Cl8 Fe2 N8 O28 Zn4 | P 1 21/c 1 | 12.175; 27.856; 16.416 90; 113.189; 90 | 5118 | Pantelis, Konstantinos N.; Skiadas, Sotiris G.; Lada, Zoi G.; Clérac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros P. Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO′O′′ Schiff-base ligands New Journal of Chemistry, 2024, 48, 11221-11232 |
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