Crystallography Open Database

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7241293 CIFAs Cd Cs Se3P 1 21/n 110.428; 6.869; 10.794
90; 93.676; 90
771.6Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe
The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers
RSC Advances, 2020, 10, 34903-34909
7241291 CIFAs Cs Hg Se3P 1 21/n 16.957; 14.917; 7.415
90; 96.926; 90
763.9Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe
The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers
RSC Advances, 2020, 10, 34903-34909
7241290 CIFAs2 Cd2 Cs2 S6P 1 21/n 110.233; 6.631; 10.447
90; 95.3; 90
705.9Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe
The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers
RSC Advances, 2020, 10, 34903-34909
7241292 CIFAs2 Cs2 Hg2 S6P 1 21/n 110.09; 6.651; 10.428
90; 94.686; 90
697.5Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe
The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers
RSC Advances, 2020, 10, 34903-34909
7240558 CIFC H13 Mn N2 O6 P3P n m a9.2009; 13.2604; 8.5408
90; 90; 90
1042.04Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara
Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence
RSC Advances, 2020, 10, 19020-19026
7240559 CIFC H13 Mn N2 O6 P3P n m a9.4005; 13.299; 8.6191
90; 90; 90
1077.54Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara
Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence
RSC Advances, 2020, 10, 19020-19026
7240557 CIFC1.17 H12.84 Mn N2 O6 P2.83P n m a9.3938; 13.3012; 8.5716
90; 90; 90
1071.01Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara
Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence
RSC Advances, 2020, 10, 19020-19026
7240262 CIFC10 H10 N2P b c a9.612; 7.441; 24.001
90; 90; 90
1716.6Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling
Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage
RSC Advances, 2020, 10, 13815-13819
7241672 CIFC10 H10 N4C 1 2/c 116.8629; 7.7228; 14.8431
90; 104.655; 90
1870.1Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan
Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals
RSC Advances, 2020, 10, 40421-40427
7241633 CIFC10 H11 Cu N O5P b c a7.4851; 13.4109; 21.5161
90; 90; 90
2159.8Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui
Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology
RSC Advances, 2020, 10, 42964-42970
7239749 CIFC10 H12 N4 O2 S2P 1 21/c 16.069; 8.501; 12.518
90; 98; 90
639.6Al-Zaqri, Nabil; Khatib, Tamer; Alsalme, Ali; Alharthi, Fahad A.; Zarrouk, Abdelkader; Warad, Ismail
Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kinetics via FWO and KAS models
RSC Advances, 2020, 10, 2037-2048
7240676 CIFC10 H12 N4 O3 SP 1 21/c 112.4131; 7.267; 13.508
90; 113.147; 90
1120.41Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed
A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water
RSC Advances, 2020, 10, 21656-21661
7240976 CIFC10 H12 O7P -17.7136; 8.6961; 9.1169
68.073; 79.306; 64.143
510.32Yan, Zhangyuan; Li, Jialin; Ye, Geting; Chen, Tao; Li, Meimei; Liang, Yanmin; Long, Yuhua
Fused multicyclic polyketides with a two-spiro-carbon skeleton from mangrove-derived endophytic fungus Epicoccum nigrum SCNU-F0002
RSC Advances, 2020, 10, 28560-28566
7240390 CIFC10 H14 Cl2 Cu N2 OP 1 21/c 119.134; 8.72; 7.476
90; 93.41; 90
1245.2Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira
Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes
RSC Advances, 2020, 10, 16209-16220
7240649 CIFC10 H14 N O4 PP -15.661; 8.5501; 12.0035
78.854; 79.171; 78.139
551.19Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr
Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction
RSC Advances, 2020, 10, 21329-21349
7240745 CIFC10 H20 Cl3 Ho N2 O6P -17.6541; 14.2569; 17.3435
89.723; 87.557; 87.201
1888.6Yinhua, Deng; Foroughi, Mohammad Mehdi; Aramesh-Boroujeni, Zahra; Jahani, Shohreh; Peydayesh, Mohadesh; Borhani, Fariba; Khatami, Mehrdad; Rohani, Meysam; Dusek, Michal; Eigner, Vaclav
The synthesis, characterization, DNA/BSA/HSA interactions, molecular modeling, antibacterial properties, and in vitro cytotoxic activities of novel parent and niosome nano-encapsulated Ho(iii) complexes
RSC Advances, 2020, 10, 22891-22908
7240220 CIFC10 H24 N10 O2C 1 2/m 18.3308; 12.0024; 9.2986
90; 105.393; 90
896.4Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong
Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents
RSC Advances, 2020, 10, 11939-11944
7240257 CIFC10 H58 Cu4 N10 O48 Si W11P 110.97; 12.408; 12.818
101.383; 111.028; 108.089
1451.3Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan
Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid
RSC Advances, 2020, 10, 13759-13765
7240258 CIFC10 H58 Cu4 N10 O48 Si W11P 110.9871; 12.3354; 12.7954
101.807; 110.331; 107.718
1452.5Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan
Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid
RSC Advances, 2020, 10, 13759-13765
7240105 CIFC10 H7 Br N2 OP -19.0376; 9.5049; 11.5608
77.439; 76.725; 87.542
943.39Shcherbakov, Stanislav S.; Magometov, Artyom Yu.; Shcherbakova, Viktoriia Yu.; Aksenov, Alexander V.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael
Electrophilic alkylation of arenes with 5-bromopyrimidine en route to 4-aryl-5-alkynylpyrimidines
RSC Advances, 2020, 10, 10315-10321
7240154 CIFC108 H124 Cr4 Gd8 N18 O71P -113.96; 14.47; 21.07
86.75; 80.221; 88.827
4187Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan
Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure
RSC Advances, 2020, 10, 11365-11370
7240155 CIFC108 H124 Cr4 N18 O71 Tb8P -113.7114; 14.2047; 20.6032
86.557; 80.096; 88.562
3945.4Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan
Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure
RSC Advances, 2020, 10, 11365-11370
7240371 CIFC11 H10 Br2 N2 O2P 1 21/c 19.0273; 9.0598; 16.3781
90; 100.771; 90
1315.9Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.
Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition
RSC Advances, 2020, 10, 15656-15664
7241679 CIFC11 H10 Cl N O4P 1 21/c 16.8571; 18.2247; 9.2749
90; 109.383; 90
1093.38Leduskrasts, Kaspars; Suna, Edgars
Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect
RSC Advances, 2020, 10, 38107-38113
7240428 CIFC11 H10 O3P -17.711; 7.9405; 9.1857
65.896; 85.99; 70.155
481.36Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.
Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses
RSC Advances, 2020, 10, 16861-16874
7240261 CIFC11 H11 F0.5 N2I b a 29.8331; 20.335; 9.8331
90; 90; 90
1966.2Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling
Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage
RSC Advances, 2020, 10, 13815-13819
7239977 CIFC11 H11 N3 OP 1 21/c 111.5123; 9.0527; 19.5365
90; 96.232; 90
2024Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.
Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds
RSC Advances, 2020, 10, 7867-7878
7240370 CIFC11 H12 Br2 N2 O3P 1 21/c 18.6989; 10.7694; 15.0669
90; 99.867; 90
1390.6Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.
Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition
RSC Advances, 2020, 10, 15656-15664
7240595 CIFC11 H12 N O2 SP -16.4707; 6.4978; 13.6439
96.434; 102.426; 94.819
553.23Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng
Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019
RSC Advances, 2020, 10, 20738-20744
7241676 CIFC11 H14 Cl N O2P 21 21 217.011; 9.8156; 17.0473
90; 90; 90
1173.15Leduskrasts, Kaspars; Suna, Edgars
Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect
RSC Advances, 2020, 10, 38107-38113
7239998 CIFC11 H15 B O2C m c 2129.8653; 10.2827; 10.8622
90; 90; 90
3335.7Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi
An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte
RSC Advances, 2020, 10, 8780-8789
7241685 CIFC11 H15 N OP 1 21/c 116.418; 6.5616; 17.993
90; 94.892; 90
1931.3Zhang, Yuewei; Bao, Qingqing; Zhang, Ning; Wang, Shuohang; Yu, Xue
Stereocontrolled addition of Grignard reagents to oxa-bridged benzazepines: highly efficient synthesis of functionalized benzazepine scaffolds
RSC Advances, 2020, 10, 41802-41806
7240700 CIFC11 H15 N3 OC 2 2 219.8805; 12.7554; 17.4319
90; 90; 90
2196.94Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.
Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study
RSC Advances, 2020, 10, 22397-22416
7240369 CIFC11 H15 N5 O3P 1 21 115.8711; 8.04111; 16.4342
90; 117.058; 90
1867.79Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel
Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity
RSC Advances, 2020, 10, 15815-15824
7240391 CIFC11 H17 Cl2 Cu N3P -17.255; 8.96; 11.553
96.81; 102.83; 113.02
656Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira
Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes
RSC Advances, 2020, 10, 16209-16220
7240795 CIFC11 H19 N5 O8 P2P 1 21/c 18.9985; 11.8275; 17.5639
90; 103.4; 90
1818.43Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir
Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand
RSC Advances, 2020, 10, 24808-24816
7241136 CIFC11 H19.161 Cl3 Fe N4 O1.907P -16.8687; 8.6082; 13.7369
80.288; 81.571; 88.256
791.92Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.
Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties
RSC Advances, 2020, 10, 31165-31170
7240693 CIFC11 H21 N3 O3P n a 219.7621; 13.2127; 21.9038
90; 90; 90
2825.23Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.
Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study
RSC Advances, 2020, 10, 22397-22416
7240697 CIFC11 H21 N3 O3P 1 21 19.7687; 21.9014; 13.182
90; 89.865; 90
2820.3Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.
Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study
RSC Advances, 2020, 10, 22397-22416
7239744 CIFC11 H7 SP 1 21/c 19.8461; 9.2276; 10.1454
90; 115.242; 90
833.75Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi
Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging
RSC Advances, 2020, 10, 2170-2179
7241061 CIFC11 H8 Cl3 N O2P 1 21/c 110.1155; 11.3509; 11.1128
90; 111.011; 90
1191.13Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari
Fluorescence enhancement of quinolines by protonation
RSC Advances, 2020, 10, 29385-29393
7241053 CIFC11 H8 F3 N O2P -14.7905; 10.1855; 11.2559
78.836; 80.287; 80.584
526.21Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari
Fluorescence enhancement of quinolines by protonation
RSC Advances, 2020, 10, 29385-29393
7241371 CIFC11 H9 N3 O S2P 1 21/n 114.5546; 4.9907; 17.1813
90; 113.268; 90
1146.5Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah
Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study
RSC Advances, 2020, 10, 36806-36817
7240118 CIFC11 H9 N3 O2 SP -16.9735; 7.8762; 9.8077
99.965; 95.925; 97.05
522.26Recio, Javier; Filace, Fabiana; Gala, Elena; Pérez-Redondo, Adrián; Álvarez-Builla, Julio; Burgos, Carolina
Studies on the preparation of aminobipyridines and bipyridine sultams via an intramolecular free radical pathway
RSC Advances, 2020, 10, 10447-10451
7239721 CIFC11 H9 O2P b c a10.8929; 8.8947; 15.66
90; 90; 90
1517.28Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han
Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds
RSC Advances, 2020, 10, 739-745
7241936 CIFC118 H147 Cl8 O20P 1 21/c 122.214; 20.8; 25.875
90; 100.33; 90
11762Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju
Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene
RSC Advances, 2020, 10, 45112-45115
7239976 CIFC12 H13 N3 OP 1 21/n 112.849; 10.609; 16.349
90; 96.668; 90
2213.5Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.
Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds
RSC Advances, 2020, 10, 7867-7878
7240339 CIFC12 H14 N2 O SC 1 2/c 119.1997; 7.7319; 16.5888
90; 95.914; 90
2449.5Akhmetova, Vnira R.; Akhmadiev, Nail S.; Abdullin, Marat F.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.
Synthesis of new N,N′-Pd(Pt) complexes based on sulfanyl pyrazoles, and investigation of their in vitro anticancer activity
RSC Advances, 2020, 10, 15116-15123
7241134 CIFC12 H17 Cl2 F3 Fe N5 O5 SP n m a27.529; 10.302; 7.0168
90; 90; 90
1989.99Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.
Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties
RSC Advances, 2020, 10, 31165-31170
7241138 CIFC12 H17 Cl3 F3 Fe N4 O3 SP 1 21/m 16.9779; 10.3829; 13.9933
90; 97.673; 90
1004.75Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.
Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties
RSC Advances, 2020, 10, 31165-31170

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