Crystallography Open Database

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7233239 CIFC26 H32 Cd N2 O7P 21 21 214.5475; 28.4089; 6.1616
90; 90; 90
2546.46Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais
Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol
CrystEngComm, 2019, 21, 5129
7233242 CIFC26 H32 Cd N2 O7P 21 21 214.5483; 28.4278; 6.166
90; 90; 90
2550.11Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais
Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol
CrystEngComm, 2019, 21, 5129
7233826 CIFC20 H11 N O3P 21 21 213.1356; 10.4952; 10.6469
90; 90; 90
1467.8Sunil Kumar; Punita Singh; Ritu Srivastava; Rik Rani Koner; Avijit Pramanik; Jomon Mathew; Sougata Sinha; Madhu Rawat; R. S. Anand; Subrata Ghosh
Engineering fused coumarin dyes: a molecular level understanding of aggregation quenching and tuning electroluminescence via alkyl chain substitution
Journal of Materials Chemistry C, 2014, 2, 6637-6647
7234596 CIFC34 H34 O6 S2P 21 21 220.427; 28.01; 5.26
90; 90; 90
3010Xiaoqin Shen; Yonghao Zheng; Fred Wudl
Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives
Journal of Materials Chemistry C, 2016, 4, 2427-2431
7234648 CIFC18 H30 Cl4 N4 OP 21 21 215.872; 7.3428; 9.2728
90; 90; 90
1080.7Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng
Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-
CrystEngComm, 2019
7234919 CIFC18 H28 Cl6 Cu N4P 21 21 213.7107; 23.0021; 7.9717
90; 90; 90
2514.1Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang
Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state
CrystEngComm, 2019, 21, 4354
7235915 CIFC56 H62 N2 O9 S2P 21 21 215.2948; 18.2388; 9.5627
90; 90; 90
2667.6Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan
Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium
RSC Advances, 2015, 5, 41692
7235916 CIFC58 H66 N2 O9 S2P 21 21 218.878; 15.3625; 9.4488
90; 90; 90
2740.3Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan
Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium
RSC Advances, 2015, 5, 41692
7235917 CIFC60 H70 N2 O9 S2P 21 21 219.8998; 15.4214; 9.2206
90; 90; 90
2829.64Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan
Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium
RSC Advances, 2015, 5, 41692
7237244 CIFC60 H64 Al2 Mg O11P 21 21 214.1081; 21.3826; 8.9782
90; 90; 90
2708.43Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.
A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries
Journal of Materials Chemistry A, 2019, 7, 2677
7238341 CIFC22 H16 N4 O4P 21 21 25.0497; 28.8108; 6.3242
90; 90; 90
920.08Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher
Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state
CrystEngComm, 2010, 12, 4074
7238553 CIFC8 H16 I3 N4 S2P 21 21 212.2118; 25.3633; 5.6918
90; 90; 90
1762.93Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.
Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine
RSC Advances, 2012, 2, 2856
7238827 CIFC61 H63 F6 N12 Ni2 O12.5P 21 21 224.1322; 8.2047; 15.471
90; 90; 90
3063.22Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh
Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer
CrystEngComm, 2013, 15, 9798
7238907 CIFC20 H33 Br8 Cl2 Co2 N8 O12.5P 21 21 215.5601; 28.2409; 8.9927
90; 90; 90
3951.7Panja, Anangamohan
A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies
RSC Advances, 2013, 3, 4954
7238955 CIFMo O6 Te ZnP 21 21 25.0442; 5.2642; 8.9187
90; 90; 90
236.82Zhao, Sangen; Luo, Junhua; Zhou, Pan; Zhang, Shu-Quan; Sun, Zhihua; Hong, Maochun
ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units
RSC Advances, 2013, 3, 14000
7238984 CIFC14 H24 F3 N O6 SP 21 21 225.049; 8.4762; 8.8991
90; 90; 90
1889.5Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.
New asymmetric approach to β-trifluoromethyl isoserines
RSC Advances, 2013, 3, 6479
7239006 CIFC11 H13 N O SP 21 21 219.5407; 8.005; 6.7851
90; 90; 90
1061.35Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
RSC Advances, 2013, 3, 24997
7239194 CIFC15 H15 Br2 Cd N4 S2P 21 21 210.9674; 18.1011; 4.9514
90; 90; 90
982.96Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing
New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules
RSC Advances, 2013, 3, 16416
7239704 CIFC15 H23 N O5P 21 21 230.706; 9.6913; 11.0426
90; 90; 90
3286.1Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.
Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility
CrystEngComm, 2020, 22, 412-415
7239707 CIFC15 H23 N O5P 21 21 29.5719; 30.798; 10.9331
90; 90; 90
3223Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.
Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility
CrystEngComm, 2020, 22, 412-415
7239783 CIFC18 H18 Cl2 Hg N2 O4P 21 21 218.3123; 18.3932; 5.8857
90; 90; 90
1982.43Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais
Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds
CrystEngComm, 2020, 22, 1746-1753
7240057 CIFC28 H31 N3 O4P 21 21 225.731; 8.2594; 12.118
90; 90; 90
2575.3Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.
Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality
CrystEngComm, 2020
7240247 CIFC28 H32 Cu N4 O7P 21 21 29.461; 26.3464; 11.1125
90; 90; 90
2769.9Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan
Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives
CrystEngComm, 2020
7240248 CIFC28 H32 Cu N4 O7P 21 21 29.4529; 26.3871; 11.1375
90; 90; 90
2778.1Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan
Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives
CrystEngComm, 2020
7240701 CIFC30 H42 N8 O3P 21 21 212.0576; 11.3774; 11.1889
90; 90; 90
1534.94Al-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
7241001 CIFC50 H28 F8 I4 N2 O2P 21 21 214.147; 16.6061; 18.9558
90; 90; 90
4453.2Wu, Wen Xin; Wang, Hui; Jin, Wei Jun
Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals
CrystEngComm, 2020
7241732 CIFC56 H47 Ca2 N24 O34 S4P 21 21 225.565; 31.743; 10.3985
90; 90; 90
8438.5Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl
Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers
CrystEngComm, 2021, 23, 465-481
7242170 CIFC30 H44 Co N6 O4 P2 S4P 21 21 212.6723; 19.8452; 7.445
90; 90; 90
1872.3Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin
Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas
CrystEngComm, 2021, 23, 2081-2090
7242802 CIFC44 H66 Mn N14 O22 P2P 21 21 213.9445; 19.9094; 10.1085
90; 90; 90
2806.4Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui
Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes
CrystEngComm, 2021, 23, 4175-4180
7242804 CIFC45 H62 Cd N14 O19 P2P 21 21 213.9986; 19.9756; 10.1006
90; 90; 90
2824.44Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui
Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes
CrystEngComm, 2021, 23, 4175-4180
7242951 CIFC13 H16 Cl2 N2 O8P 21 21 213.0155; 13.2744; 4.9013
90; 90; 90
846.81Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao
Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal
CrystEngComm, 2021, 23, 5306-5313
7244114 CIFC17 H23 O7P 21 21 210.5089; 24.083; 6.4952
90; 90; 90
1643.84Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong
Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation
CrystEngComm, 2022, 24, 1056-1067
7244507 CIFC28 H32 Br O2.5P 21 21 216.9823; 19.7469; 7.0709
90; 90; 90
2371.21Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.
Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer
CrystEngComm, 2022, 24, 2089-2099
7244690 CIFC44 H36 F8 N10 O5 S2P 21 21 216.568; 37.54; 7.364
90; 90; 90
4580Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar
Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies
CrystEngComm, 2022
7244803 CIFC24 H39 N6 O7 S2P 21 21 239.275; 12.1367; 7.323
90; 90; 90
3490.6Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang
Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules
CrystEngComm, 2022
7244987 CIFC22.5 H22.5 Fe N7.5 O3.5P 21 21 212.377; 9.4953; 10.2036
90; 90; 90
1199.2Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia
Metal ions impact on the isostructurality and properties of 2D coordination polymers
CrystEngComm, 2022
7244988 CIFC24 H24 Co N8 O3P 21 21 212.2124; 9.47; 10.267
90; 90; 90
1187.39Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia
Metal ions impact on the isostructurality and properties of 2D coordination polymers
CrystEngComm, 2022
7245645 CIFC25 H28 F N3 O5P 21 21 226.6114; 15.8766; 5.4278
90; 90; 90
2293.24Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei
Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects
CrystEngComm, 2022
7245646 CIFC26 H30 F N3 O5P 21 21 227.4657; 15.6448; 5.5604
90; 90; 90
2389.28Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei
Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects
CrystEngComm, 2022
7246831 CIFC22 H16 Br N SP 21 21 222.70389; 13.29859; 5.82409
90; 90; 90
1758.47Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen
Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions
Green Chemistry, 2023, 25, 5206-5212
7246942 CIFC46 H106 Mn Mo7.5 N4 O44 S14P 21 21 233.5555; 30.4959; 9.33799
90; 90; 90
9555.61Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
Green Chemistry, 2023, 25, 6263-6269
7247123 CIFC20 H41.5 K N10 O26.25 P4P 21 21 226.352; 10.99; 6.7232
90; 90; 90
1947.1Kaszubowski, Oskar; Ślepokura, Katarzyna
Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
CrystEngComm, 2023, 25, 4592-4603
7247126 CIFC10 H18 K N5 O12 P2P 21 21 228.31; 10.412; 6.2855
90; 90; 90
1852.7Kaszubowski, Oskar; Ślepokura, Katarzyna
Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
CrystEngComm, 2023, 25, 4592-4603
7247362 CIFC39 H39 Cd3 N3 O15P 21 21 29.5668; 23.3692; 17.0992
90; 90; 90
3822.84Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
CrystEngComm, 2023, 25, 5428-5435
7247573 CIFC76 H81 I N4 O10 Si2P 21 21 213.3936; 27.474; 9.584
90; 90; 90
3526.68Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er
New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations
Green Chemistry, 2023, 25, 10447-10457
7247574 CIFC56 H61 I N4 O8 Si2P 21 21 228.216; 13.252; 14.528
90; 90; 90
5432Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er
New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations
Green Chemistry, 2023, 25, 10447-10457
7248075 CIFC102 H76 O16 P2 U2P 21 21 223.3097; 13.3655; 13.5379
90; 90; 90
4217.68Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands
CrystEngComm, 2024, 26, 1278-1291
7248076 CIFC80 H80 N4 O26 U4P 21 21 217.5195; 26.5815; 8.8808
90; 90; 90
4135.7Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands
CrystEngComm, 2024, 26, 1278-1291
7248332 CIFC24 H28 Cl N3 O6 SP 21 21 214.6984; 17.427; 19.6342
90; 90; 90
5029.3Parmar, Mehul P.; Vala, Disha P.; Bhalodiya, Savan S.; Upadhyay, Dipti B.; Patel, Chirag D.; Patel, Subham G.; Gandholi, Srinivasa R.; Shaik, Althaf H.; Miller, Amy Dunne; Nogales, Joaquina; Banerjee, Sourav; Padrón, José M; Amri, Nasser; Kandukuri, Nagesh Kumar; Patel, Hitendra M.
A green bio-organic catalyst (taurine) promoted one-pot synthesis of (<i>R</i>/<i>S</i>)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.
RSC advances, 2024, 14, 9300-9313
7248532 CIFC26 H33 N O8P 21 21 218.4944; 23.2557; 5.4935
90; 90; 90
2362.76Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng
New solid forms of tetrahydrocurcumin with improved solubility
CrystEngComm, 2024, 26, 3232-3239

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