Crystallography Open Database

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7247934 CIFC39.2 H51.6 O5.6P 1 21 112.328; 8.7496; 15.981
90; 102.026; 90
1686Li, Fangxiu; Sun, Yue; Sun, Xiaoxia; Hu, Yu
Self-assembled bamboo-like carbon nanotubes based on chiral H8BINOL sensors to recognize cinchonidine efficiently by diastereoisomer complexes
RSC Advances, 2024, 14, 1134-1140
7247935 CIFC16 H16 Cl N O2 SP -17.5547; 10.3453; 11.0141
87.479; 80.687; 70.175
799.07Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long
Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst
RSC Advances, 2024, 14, 700-706
7247936 CIFC100 H76 F12 N8 O8P -111.3419; 12.6437; 15.4793
89.5519; 87.0296; 76.7371
2157.7Zhou, Feng-Ji; Zhu, Bao-Lei; Huang, Zhen-Hui; Lin, Ning; Zhang, Zhen-Wei
DBU-catalyzed diastereoselective 1,3-dipolar [3+2] cycloaddition of trifluoroethyl amine-derived isatin ketimines with chalcones: synthesis of 5′-CF3-substituted 3,2′-pyrrolidinyl spirooxindoles
RSC Advances, 2024, 14, 548-551
7247937 CIFC50 H36 N2 O5 ZnP -16.011; 15.789; 21.392
73.242; 83.793; 86.176
1931.3Hossain, Ersad; Hazra, Abhijit; Datta, Sourav; Khan, Samim; Pramanik, Samit; Banerjee, Priyabrata; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata
Facile construction of an anthracene-decorated highly luminescent coordination polymer for the selective detection of explosive nitroaromatics and the mutagenic pollutant TNP
RSC Advances, 2024, 14, 397-404
7247938 CIFC28.66667 H21 Cl N2 O3.33333C 1 2 124.5506; 14.4941; 24.966
90; 125.773; 90
7207.8Zhong, Jialing; Pan, Rihuang; Lin, Xufeng
Enantioselective synthesis of α-tetrasubstituted (1-indolizinyl) (diaryl)-methanamines via chiral phosphoric acid catalysis
RSC Advances, 2024, 14, 1106-1113
7247939 CIFC17 H17 N3 O6 SP 21 21 217.2177; 9.2009; 27.0007
90; 90; 90
1793.1Gutiérrez, Eduardo L.; Godoy, Agustín A.; Brusau, Elena V.; Vega, Daniel; Narda, Griselda E.; Suárez, Sebastián; Di Salvo, Florencia
Mebendazolium mesylate anhydride salt: rational design based on supramolecular assembly, synthesis, and solid-state characterization
RSC Advances, 2024, 14, 181-192
7247940 CIFC42 H55 N9 O6 S2P 21 21 2115.6599; 16.5029; 17.2608
90; 90; 90
4460.8Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247941 CIFC41 H53.5 I N8.5 O6.5 S2P 1 21 113.7742; 21.713; 15.1389
90; 91.337; 90
4526.5Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247942 CIFC43 H53 F3 N8 O7 S2P 19.4424; 9.8919; 12.937
80.097; 80.867; 84.776
1172.74Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247943 CIFC45 H63 N9 O7 S2P 19.3885; 10.0778; 13.0183
82.659; 86.078; 80.131
1202.19Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247944 CIFC40 H50.5 Br N8.5 O6 S2P 1 21 115.648; 16.8169; 16.1537
90; 95.683; 90
4229.97Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247945 CIFC40 H50.5 Cl N8.5 O6 S2P 1 21 115.6272; 16.6962; 16.1368
90; 95.44; 90
4191.37Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu
Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide
RSC Advances, 2024, 14, 1062-1071
7247946 CIFC20 H52.78 Cr2 Cu4 Mo12 N12 O61.39P 110.2257; 14.332; 14.3731
106.76; 110.599; 105.352
1723.2Tan, Hong-Ru; Zhou, Xiang; Gong, Tengfei; You, Hanqi; Zheng, Qi; Zhao, Sheng-Yin; Xuan, Weimin
Anderson-type polyoxometalate-based metal–organic framework as an efficient heterogeneous catalyst for selective oxidation of benzylic C–H bonds
RSC Advances, 2024, 14, 364-372
7247951 CIFC28 H26 Fe O4 Se2P 1 21/c 112.387; 6.2596; 33.747
90; 91.613; 90
2615.6Yang, Zhuo; Wang, Jinshan; Li, Aimin; Wang, Chao; Ji, Wei; Pires, Elísabet; Yang, Wenzhong; Jing, Su
Ferrocenylselenoether and its cuprous cluster modified TiO2 as visible-light photocatalyst for the synergistic transformation of N-cyclic organics and Cr(vi)
RSC Advances, 2024, 14, 1488-1500
7248030 CIFC54.02 H76.29 Cd2 Cl8 N27.98 O22P 1 21/c 112.95; 20.3971; 15.0471
90; 100.379; 90
3909.5Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin
Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles
RSC Advances, 2024, 14, 2652-2658
7248031 CIFC52 H54 N27 O12C 1 2 123.088; 11.877; 15.998
90; 131.526; 90
3284.3Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin
Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles
RSC Advances, 2024, 14, 2652-2658
7248032 CIFC106 H108 Cl12 N52 O24 Zn3P -113.5914; 17.2592; 33.599
82.721; 79.158; 72.244
7351.8Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin
Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles
RSC Advances, 2024, 14, 2652-2658
7248037 CIFC44 H36 N6 O5I 41/a :215.7011; 15.7011; 29.337
90; 90; 90
7232.3Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.
Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives
RSC Advances, 2024, 14, 2873-2877
7248038 CIFC24 H21 N3 O2P 1 21/c 19.9591; 17.0919; 11.8583
90; 105.357; 90
1946.45Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.
Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives
RSC Advances, 2024, 14, 2873-2877
7248090 CIFC27 H16 N4C 1 2/m 111.19; 13.4371; 7.0568
90; 98.472; 90
1049.49Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De
Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion
RSC Advances, 2024, 14, 4503-4508
7248091 CIFC28 H18 N4P -16.7935; 8.9755; 17.3317
102.064; 90.087; 96.951
1025.47Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De
Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion
RSC Advances, 2024, 14, 4503-4508
7248092 CIFC28 H14 F4 N4P -17.7988; 8.4619; 16.7251
82.874; 80.374; 83.233
1074.46Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De
Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion
RSC Advances, 2024, 14, 4503-4508
7248093 CIFC146.4 H175.2 N16 O25.2 S9.2P -112.729; 15.65; 19.849
91.255; 91.14; 103.68
3840Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano
Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube
RSC Advances, 2024, 14, 4448-4455
7248094 CIFC143.2 H169.6 N16 O25.6 S7.6C 1 2/c 140.093; 22.414; 18.799
90; 107.521; 90
16110Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano
Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube
RSC Advances, 2024, 14, 4448-4455
7248095 CIFC21 H12 Cl F N2 S SeP -19.2475; 9.9092; 11.8955
70.528; 67.961; 73.477
937Ghosh, Prasanjit; Chhetri, Gautam; Mandal, Anirban; Chen, Yu; Hersh, William H.; Das, Sajal
C(sp2)–H selenylation of substituted benzo[4,5]imidazo[2,1-b]thiazoles using phenyliodine(iii)bis(trifluoroacetate) as a mediator
RSC Advances, 2024, 14, 4462-4470
7248098 CIFC12 H18 Cl8 N4 Sb2P -17.9767; 9.0843; 9.3456
86.352; 69.069; 74.829
610.14Chaabane, I.; Rekik, W.; Ghalla, H.; Zaghrioui, M.; Lhoste, J.; Oueslati, A.
Crystal structure, optical characterization, conduction and relaxation mechanisms of a new hybrid compound (C<sub>6</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[Sb<sub>2</sub>Cl<sub>8</sub>].
RSC advances, 2024, 14, 3588-3598
7248101 CIFC10 H10 N2 OI 1 2/a 19.4933; 9.0418; 21.8135
90; 101.356; 90
1835.74Chen, Yichun; Lu, Ziqi; He, Wenfen; Zhu, Huanyi; Lu, Weilong; Shi, Junjun; Sheng, Jie; Xie, Wucheng
Rhodium-catalyzed annulation of hydrazines with vinylene carbonate to synthesize unsubstituted 1-aminoindole derivatives
RSC Advances, 2024, 14, 4804-4809
7248110 CIFC23 H17 N3 SP 1 21/n 19.3292; 14.298; 14.191
90; 96.46; 90
1880.9Vinayagam, Dhandapani; Subramanian, Karpagam
A phenothiazine-functionalized pyridine-based AIEE-active molecule: a versatile molecular probe for highly sensitive detection of hypochlorite and picric acid
RSC Advances, 2024, 14, 5149-5158
7248118 CIFC108.85 H90.7 Cl0.7 O3.75P -113.5911; 14.1632; 23.9764
94.222; 93.435; 106.38
4400.2Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming
Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties
RSC Advances, 2024, 14, 5331-5339
7248119 CIFC52 H38 O6I 1 a 17.3252; 22.6642; 23.2798
90; 92.451; 90
3861.37Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming
Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties
RSC Advances, 2024, 14, 5331-5339
7248120 CIFC17 H28 N2 O2P 1 21/n 115.9867; 5.3642; 21.1924
90; 103.788; 90
1765Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
RSC Advances, 2024, 14, 5222-5233
7248121 CIFC17 H17 N2 OP 1 21 14.763; 10.544; 15.14
90; 96.49; 90
755.5Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
RSC Advances, 2024, 14, 5222-5233
7248122 CIFC16 H26 N2 OP b c a14.1335; 10.5456; 22.1248
90; 90; 90
3297.6Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
RSC Advances, 2024, 14, 5222-5233
7248123 CIFC15 H22 N2 O3P 1 21/c 17.1033; 23.7608; 18.3655
90; 93.527; 90
3093.9Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
RSC Advances, 2024, 14, 5222-5233
7248127 CIFC13 H13 Cl N2 OP -17.788; 8.7699; 9.7291
111.057; 96.558; 104.436
585.08Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
7248128 CIFC13 H13 Cl N2 OP -17.788; 8.7699; 9.7291
111.057; 96.558; 104.436
585.08Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
7248129 CIFC13 H11 N2 O0.5I 41/a c d :224.31; 24.31; 14.016
90; 90; 90
8283.1Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
7248130 CIFC26 H22 N4 OI 41/a c d :224.31; 24.31; 14.016
90; 90; 90
8283.1Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
7248179 CIFC20 H15 N3 OP 1 21/n 18.0992; 20.6903; 9.9276
90; 111.728; 90
1545.42Zuo, Youpeng; Liu, Meijun; Du, Jun; Zhang, Tianren; Wang, Xiaoqing; Wang, Cong
Ir(iii)/Ag(i)-catalyzed directly C–H amidation of arenes with OH-free hydroxyamides as amidating agents
RSC Advances, 2024, 14, 5975-5980
7248180 CIFC6 H7 O6 RbP -17.6763; 7.938; 8.2274
73.068; 67.252; 68.824
424.37Kavitha, S.; Vizhi, R. Ezhil
Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications
RSC Advances, 2024, 14, 6016-6027
7248182 CIFB4 Ba4 Bi O13 TbP 63/m m c5.41865; 5.41865; 26.3535
90; 90; 120
670.12Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan
Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors
RSC Advances, 2024, 14, 6270-6284
7248183 CIFB4 Ba1.54 Bi O13 Sr2.46 TbP 63/m m c5.36534; 5.36534; 26.0661
90; 90; 120
649.83Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan
Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors
RSC Advances, 2024, 14, 6270-6284
7248184 CIFC41 H56 Cl2 N6 O6 S2P -17.4729; 16.121; 19.743
67.095; 88.242; 84.135
2179.3Tretyakov, Evgeny; Gorbunov, Dmitry; Gritsan, Nina; Keerthi, Ashok; Baumgarten, Martin; Schollmeyer, Dieter; Ivanov, Mikhail; Sergeeva, Anna; Fedin, Matvey
Synthesis and photoinduced behavior of DPP-anchored nitronyl nitroxides: a multifaceted approach
RSC Advances, 2024, 14, 6178-6189
7248185 CIFC16 H14 O4C 1 2/c 122.042; 3.9504; 15.024
90; 104.448; 90
1266.8Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan
Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors
RSC Advances, 2024, 14, 6285-6291
7248186 CIFC30 H42 O4C 1 2/c 122.098; 4.7567; 26.394
90; 109.636; 90
2613Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan
Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors
RSC Advances, 2024, 14, 6285-6291
7248208 CIFC20 H15 N3 O3 S2P 1 21/c 17.8389; 13.8151; 17.198
90; 94.032; 90
1857.9Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey
A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation
RSC Advances, 2024, 14, 6476-6493
7248209 CIFC23 H19 Cl N4 OP -14.5436; 12.5255; 17.673
88.308; 89.195; 82.611
996.9Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey
A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation
RSC Advances, 2024, 14, 6476-6493
7248210 CIFC60 H34 N4 O4 S2P -19.3848; 13.2196; 19.2723
79.837; 79.503; 84.025
2307.68Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan
Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives
RSC Advances, 2024, 14, 6494-6500
7248211 CIFC36 H24 N2 O2P 110.9035; 16.1895; 24.4187
102.495; 95.298; 105.416
4005.2Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan
Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives
RSC Advances, 2024, 14, 6494-6500
7248213 CIFC10 H9 Br N2 O2 SP 1 21/n 114.61601; 4.09391; 18.54407
90; 100.646; 90
1090.52Yano, Tetsuya; Yamada, Takahiro; Isida, Hiroaki; Ohashi, Nami; Itoh, Toshimasa
2-cyanopyridine derivatives enable N-terminal cysteine bioconjugation and peptide bond cleavage of glutathione under aqueous and mild conditions
RSC Advances, 2024, 14, 6542-6547

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