Crystallography Open Database

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4518477 CIFC21 H16 Cl F2 N3 O4P 1 21/c 16.03; 30.28; 11.18
90; 104.36; 90
1978Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara
Design and Synthesis of "Chloropicolinate Amides and Urea Derivatives" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.
ACS omega, 2021, 6, 1657-1667
4518478 CIFC20 H14 Cl F3 N4 O3P b c a19.05; 10.8747; 19.747
90; 90; 90
4090.8Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara
Design and Synthesis of "Chloropicolinate Amides and Urea Derivatives" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.
ACS omega, 2021, 6, 1657-1667
4518479 CIFC8 H10 Cu N5 O4P n a 2111.3899; 14.5663; 6.6853
90; 90; 90
1109.1Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.
SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.
ACS omega, 2021, 6, 1266-1272
4518480 CIFC29 H30 N2 O12 S2P 1 21 112.097; 7.7388; 15.2512
90; 98.357; 90
1412.6Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.
Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.
ACS omega, 2021, 6, 2184-2191
4518481 CIFH2 K3 O17 P4 V3P n n a10.7161; 20.8498; 6.5316
90; 90; 90
1459.35Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.
Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries.
ACS omega, 2021, 6, 1917-1929
4518494 CIFC26 H23 Au Cl Fe2 PP -19.13; 10.005; 13.765
92.986; 101.29; 107.468
1167.9Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi
Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines
ACS Omega, 2021, 6, 5981-5989
4518495 CIFC27 H23 Au Cl Fe2 O2 PP -110.872; 11.237; 11.91
65.276; 72.47; 73.215
1237.8Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi
Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines
ACS Omega, 2021, 6, 5981-5989
4518496 CIFC31 H28 Au Cl4 Fe3 PC 1 2/c 118.102; 14.686; 25.322
90; 109.296; 90
6354Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi
Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines
ACS Omega, 2021, 6, 5981-5989
4518497 CIFC88 H100 N12 O20C 1 2 119.1751; 9.6598; 13.3995
90; 120.229; 90
2144.5Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng
Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction
ACS Omega, 2021, 6, 5812-5824
4518498 CIFC82 H68 Cl4 N4 O8P -115.1676; 16.5831; 17.0312
106.676; 95.767; 116.781
3528.7Wang, Jie; Shi, Dong
Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer
ACS Omega, 2021, 6, 5972-5980
4518499 CIFC168 H141 Cl N8 O16P -113.1368; 16.167; 16.9132
75.115; 85.626; 75.727
3364.1Wang, Jie; Shi, Dong
Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer
ACS Omega, 2021, 6, 5972-5980
4518500 CIFC81 H68 N4 O8P -113.8322; 14.8314; 17.2503
86.082; 70.408; 80.111
3284.27Wang, Jie; Shi, Dong
Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer
ACS Omega, 2021, 6, 5972-5980
4518528 CIFC31 H38 O8P 21 21 218.0424; 13.88872; 25.03583
90; 90; 90
2796.47Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan
Linderaggrenolides A‒N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata
ACS Omega, 2021, 6, 5898-5909
4518529 CIFC33 Fe2 O8 P S2P -110.0138; 12.6312; 14.498
101.619; 100.574; 101.945
1708.1Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep
Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.
ACS omega, 2021, 6, 4192-4203
4518530 CIFC28.5 H18.5 Fe2 N O5 P S2P -111.3522; 12.0516; 13.4728
67.057; 65.881; 64.689
1468.2Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep
Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.
ACS omega, 2021, 6, 4192-4203
4518531 CIFC54 H52 Cl4 Co F N3P 1 21/n 110.1335; 29.5446; 16.6587
90; 106.065; 90
4792.7Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.
ACS omega, 2021, 6, 4448-4460
4518532 CIFC50 H44 Cl2 Co F N3P 1 21/c 121.7565; 14.1649; 16.2888
90; 111.466; 90
4671.7Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.
ACS omega, 2021, 6, 4448-4460
4518534 CIFC138 H62 O61 Sm8R -3 :H38.486; 38.486; 11.122
90; 90; 120
14267Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia
Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.
ACS omega, 2021, 6, 6810-6816
4518540 CIFBa9 Cr4 S19C 1 2/c 112.7695; 11.3269; 23.2057
90; 104.041; 90
3256.16Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro
Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units.
ACS omega, 2021, 6, 6842-6847
4518551 CIFC38 H42 N4 O21P 17.3043; 11.8154; 12.0064
67.444; 87.953; 88.503
956.23Budziak-Wieczorek, Iwona; Maciołek, Urszula
Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies
ACS Omega, 2021, 6, 8199-8209
4518569 CIFC12 H16 N6 O2C 1 2/c 132.0854; 16.6338; 18.7396
90; 106.521; 90
9588.5Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V.
New Reaction Products of Acetylacetone with Semicarbazide Derivatives
ACS Omega, 2021, 6, 8637-8645
4518574 CIFC18 H24 Cl2 N4 O Ru SP 21 21 217.5864; 12.9878; 21.6163
90; 90; 90
2129.9Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh
Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity
ACS Omega, 2021, 6, 8226-8238
4518681 CIFC12 H14 N Nd O8P 1 21/n 16.1774; 22.134; 11.445
90; 99.446; 90
1543.7Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
ACS Omega, 2021, 6, 10475-10485
4518682 CIFC12 H14 Gd N O8P 1 21 15.9855; 22.116; 6.1152
90; 110.656; 90
757.46Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
ACS Omega, 2021, 6, 10475-10485
4518683 CIFC12 H14 N O8 SmP 1 21/n 16.1775; 22.1665; 11.4573
90; 99.435; 90
1547.67Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
ACS Omega, 2021, 6, 10475-10485
4518684 CIFC12 H14 N O8 PrP 1 21/n 16.2123; 22.161; 11.4967
90; 99.387; 90
1561.6Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
ACS Omega, 2021, 6, 10475-10485
4518685 CIFC12 H14 Eu N O8P 1 21 15.9823; 22.145; 6.1201
90; 110.649; 90
758.69Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
ACS Omega, 2021, 6, 10475-10485
4518699 CIFC7 H7 N O6 ZnP 1 21/c 17.7081; 15.6681; 7.7483
90; 113.824; 90
856.04Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.
Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.
ACS omega, 2021, 6, 13240-13259
4518700 CIFC7 H7 Cd N O6P 1 21/c 17.8597; 15.9234; 8.0981
90; 114.849; 90
919.67Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.
Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.
ACS omega, 2021, 6, 13240-13259
4518701 CIFC56 H48 Cu4 K4 N12 O32P n m a21.7641; 17.4903; 9.3685
90; 90; 90
3566.2Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.
Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.
ACS omega, 2021, 6, 13240-13259
4518727 CIFC26 H35 N O6P 1 21/n 113.3663; 10.80081; 17.0804
90; 102.718; 90
2405.35Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua
Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis
ACS Omega, 2021, 6, 13895-13903
4518733 CIFC28 H24 Cu N2 O4C 1 2/c 124.8417; 14.2633; 17.1697
90; 128.915; 90
4733.6Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo
Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4
ACS Omega, 2021, 6, 13704-13718
4518734 CIFC26 H18 Cl2 Cu N2 O4P 1 21/n 112.028; 14.7995; 13.5238
90; 110.518; 90
2254.6Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo
Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4
ACS Omega, 2021, 6, 13704-13718
4518771 CIFC19 H25 N5 O6I 1 2/a 126.8708; 7.3323; 20.6528
90; 95.548; 90
4050.1Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518772 CIFC19 H25 N5 O6P -18.2535; 14.1548; 18.1606
100.206; 99.075; 102.165
1998.79Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518773 CIFC18.6 H23.8 N5 O6P -17.7392; 15.8949; 17.396
110.066; 90.729; 90.19
2009.8Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518774 CIFC21 H29 N5 O6I 1 2/a 17.7446; 15.5385; 36.6455
90; 91.337; 90
4408.7Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518775 CIFC10 H18 O4P 1 21 15.9795; 10.4226; 8.2748
90; 95.08; 90
513.68Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518776 CIFC13 H22 Cl N O3P b c a14.0556; 8.4265; 23.4225
90; 90; 90
2774.15Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.
The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.
ACS omega, 2021, 6, 12769-12786
4518794 CIFC16 H12 N4 O2P -17.8674; 10.8182; 16.305
94.407; 91.928; 97.087
1371.8Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518795 CIFC20 H10 Cl N5P 1 21/c 116.516; 14.1547; 7.1025
90; 91.122; 90
1660.1Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518796 CIFC20 H12 N6P 1 21/c 17.4315; 15.4721; 13.5859
90; 91.551; 90
1561.55Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518797 CIFC20 H10 Br N5P 1 21/c 116.8422; 14.1742; 7.0948
90; 90.995; 90
1693.45Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518798 CIFC21 H13 N5P n a 2118.444; 12.6807; 6.8046
90; 90; 90
1591.5Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518799 CIFC21 H13 N5 OP 1 21/c 116.3529; 14.2319; 7.2576
90; 97.256; 90
1675.6Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518800 CIFC40 H22 N10P -17.0765; 14.1844; 15.9271
76.326; 77.458; 88.903
1515.44Ibrahim, Hamada Mohamed; Behbehani, Haider
TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
ACS omega, 2021, 6, 16086-16099
4518801 CIFC14 H37 N3 O Si2 SrP -19.0705; 10.4979; 12.268
94.399; 106.772; 96.64
1103.51Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo
Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.
ACS omega, 2021, 6, 15948-15956
4518802 CIFC17 H43 N3 O2 Si2 SrP -110.027; 10.505; 12.868
86.037; 72.8; 81.722
1280.8Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo
Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.
ACS omega, 2021, 6, 15948-15956
4518803 CIFC15 H39 N3 O Si2 SrP b c a12.2155; 18.9312; 20.4702
90; 90; 90
4733.8Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo
Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.
ACS omega, 2021, 6, 15948-15956
4518804 CIFC29 H61 N4 O4 Sr1.5C 1 2/c 118.04; 11.5817; 35.591
90; 103.789; 90
7221.9Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo
Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.
ACS omega, 2021, 6, 15948-15956

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