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2023339 CIF
HKL
Paper
C12 H20 Ba N2 O11P -16.813; 8.058; 16.011
101.781; 91.365; 92.345
859.3Zhao, Xin-Yi; Yu, Hai-Yan; Zhang, Hong-Tao
A twofold interpenetrated three-dimensional barium(II) metal–organic framework constructed from 2,2′-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure, dihydrogen bonding and spectroscopic properties
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 43-53
2023366 CIF
Paper
C20 H27 PP 1 2/n 16.5476; 5.991; 21.5676
90; 96.02; 90
841.36Liu, Mo; Izod, Keith; Waddell, Paul G.
Polymorphism in a secondary phosphine
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 109-113
2023367 CIF
Paper
C20 H27 PP 1 21/c 112.8874; 8.8455; 15.4635
90; 104.108; 90
1709.6Liu, Mo; Izod, Keith; Waddell, Paul G.
Polymorphism in a secondary phosphine
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 109-113
2023368 CIF
Paper
C7 H10 Cl N3 Na O6.5 S2P -18.3728; 9.0819; 9.6533
83.013; 74.055; 70.189
663.7Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka
On the deprotonation of chlorothiazide
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108
2023369 CIF
Paper
C7 H10 Cl K N3 O6.5 S2C 1 2/c 118.3139; 7.3622; 19.967
90; 99.734; 90
2653.4Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka
On the deprotonation of chlorothiazide
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108
2023370 CIF
Paper
C7 H7 Cl Cs N3 O5 S2P -17.7126; 9.0593; 10.1381
93.976; 107.539; 107.8
632.841Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka
On the deprotonation of chlorothiazide
Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108
2023420 CIF
HKL
Paper
C16 H16 Cl N3 O3 SP -16.555; 10.14; 12.403
83.15; 89.65; 88.82
818.3Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka
7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 198-211
2023421 CIF
HKL
Paper
C34 H38 Cl2 N6 O7 S3C 1 2/c 126.379; 6.539; 22.02
90; 103.05; 90
3700.2Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka
7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 198-211
2023519 CIF
HKL
Paper
B2 Ca F8 H8 O4P -15.5192; 7.6756; 11.6518
77.439; 89.579; 88.625
481.65Armel Le Bail
Ca(BF~4~)~2~.<i>x</i>H~2~O redefined from powder diffraction as hydrogen-bonded Ca(H~2~O)~4~(BF~4~)~2~ ribbons
Acta Crystallographica, Section C, 2025, 81, 338-341
2312720 CIF
HKL
Paper
C21 H27 N7 SP -110.6953; 12.8703; 15.4917
95.157; 107.466; 97.8737
1995.51Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata
Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312721 CIF
HKL
Paper
C47 H64 N14 O3 S2P c a 2116.45775; 11.96434; 23.87725
90; 90; 90
4701.58Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata
Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312722 CIF
HKL
Paper
C25 H36.57 N8 O1.29 SP 1 21/c 113.1063; 12.8414; 15.6327
90; 98.255; 90
2603.77Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata
Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312723 CIF
Paper
Al8 H16 Na8 O48 Si12F d d 218.634; 18.788; 6.8361
90; 90; 90
2393.3Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey
How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312724 CIF
Paper
C6 H12 Cl N3 O3P 21 21 216.7936; 8.8294; 15.1621
90; 90; 90
909.47Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey
How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312725 CIF
Paper
C24 H18P n a 217.5893; 19.7154; 11.2305
90; 90; 90
1680.38Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey
How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312730 CIF
Paper
C4 H4 O2P 1 21/n 13.8409; 15.593; 7.6149
90; 99.91; 90
449.26Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312731 CIF
Paper
C4 H5 As F6 O2P 1 21/n 16.9609; 8.9319; 13.7189
90; 91.664; 90
852.6Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312732 CIF
Paper
C6 H8 O4P -13.8726; 5.6546; 8.3778
100.642; 100.42; 105.73
168.3Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312733 CIF
Paper
C6 H11 B F6 O4P b c a12.8759; 11.8899; 14.6252
90; 90; 90
2239.02Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312734 CIF
Paper
C3 H5 F11 O2 Sb2P b c a7.8461; 15.1531; 19.5536
90; 90; 90
2324.8Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312735 CIF
HKL
Paper
C20 H36 F2 N2 O10 S2P 1 21/c 110.67269; 15.8882; 16.099
90; 104.633; 90
2641.36Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang
Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312736 CIF
HKL
Paper
C20 H36 F2 N2 O10 S2P 1 21/c 110.57046; 15.7746; 15.8622
90; 104.483; 90
2560.89Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang
Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312738 CIF
Paper
C3 H6 F5 N O2P 21 21 215.5736; 9.2154; 12.7952
90; 90; 90
657.2Hollenwäger, Dirk; Leitz, Dominik; Bockmair, Valentin; Kornath, Andreas J.
Monoprotonated species of 2-aminomalonyl difluoride, [C<sub>3</sub>H<sub>4</sub>F<sub>2</sub>NO<sub>2</sub>][H<sub>2</sub>F<sub>3</sub>].
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312739 CIF
HKL
Paper
C33 H32 Fe2 N4 O3 S2P b c a12.6983; 21.8868; 22.6831
90; 90; 90
6304.2Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di
Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312740 CIF
HKL
Paper
C30 H26 Fe2 N4 O2 S2P 1 21/n 18.424; 31.266; 10.566
90; 94.2; 90
2775Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di
Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312741 CIF
HKL
Paper
C30 H26 Fe2 N4 O2 S2P -110.0024; 11.7058; 12.3942
87.781; 69.633; 82.005
1347.2Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di
Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312742 CIF
HKL
Paper
C20 H19 N O2P -15.62; 8.62; 16.07
91.113; 91.423; 96.92
772.4Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
Conformational versatility among crystalline solids of L-phenylalanine derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312743 CIF
HKL
Paper
C22 H24 Cl N O4P 21 21 215.058; 14.786; 26.482
90; 90; 90
1981Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
Conformational versatility among crystalline solids of L-phenylalanine derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312744 CIF
HKL
Paper
C20 H28 N Na O7P 1 21 16.636; 6.947; 22.583
90; 97.955; 90
1031.06Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
Conformational versatility among crystalline solids of L-phenylalanine derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312745 CIF
HKL
Paper
C40 H38 N2 O5 ZnP 1 21/c 111.56; 7.91; 36.46
90; 95.156; 90
3320Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
Conformational versatility among crystalline solids of L-phenylalanine derivatives.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312746 CIF
Paper
C7 H5 As2 F11 OP 1 21/n 110.6376; 9.9099; 13.0019
90; 101.806; 90
1341.63Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.
Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312747 CIF
Paper
C7 H5 F OP 1 21/n 112.592; 7.2274; 13.473
90; 104.77; 90
1185.6Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.
Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312748 CIF
Paper
S8F d d d :110.4947; 12.7876; 24.9428
90; 90; 90
3347.37Rahimisheikh, Sepideh; Hajizadeh, Amirhossein; Quintelier, Matthias; Stulens, Sander; Hardy, An; Hadermann, Joke
Crystal structure of submicron-sized sulfur particles using 3D ED obtained in atmospheric conditions.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312754 CIF
HKL
Paper
C46 H60 B2 Mg N4 O3P 1 21/c 112.567; 23.718; 15.746
90; 111.012; 90
4381.2Loroño-González, Marcos A; Loroño-González, Daniel J
Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 131-139
2312755 CIF
HKL
Paper
C28 H28 B KP 1 21 110.0571; 9.6814; 11.689
90; 103.002; 90
1108.9Loroño-González, Marcos A; Loroño-González, Daniel J
Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 131-139
2312757 CIF
Paper
Ca2 O7 Rb2 Si2P m m n :25.7363; 13.8532; 9.933
90; 90; 90
789.34Kahlenberg, Volker
Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 146-155
2312758 CIF
Paper
Ca2 O7 Rb2 Si2P m m n :25.7281; 13.8361; 9.9233
90; 90; 90
786.47Kahlenberg, Volker
Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 146-155
2312759 CIF
HKL
Paper
C8 H12 F6 O6 S2P 1 21/n 14.95674; 15.97566; 8.76933
90; 91.8347; 90
694.063Hoelm, Marta; Wzgarda-Raj, Kinga; Kinart, Zdzislaw; Kost, Bartlomiej; Brzezinski, Marek; Staniec, Paulina
Synthesis, crystal structure elucidation, theoretical characterization and thermochemistry analysis of the potential anticancer drug BFS.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 156-164
2312760 CIF
HKL
Paper
C21 H40 N2 O10 S2P 1 21 17.99791; 16.29632; 10.52351
90; 105.683; 90
1320.53Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang
Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 140-145
2312761 CIF
HKL
Paper
C21 H37 F3 N2 O10 S2P 1 21 18.23545; 16.4434; 10.5833
90; 105.433; 90
1381.5Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang
Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 140-145
2312762 CIF
HKL
Paper
C30 H43 N17 Ni O17 S3P 324.185; 24.185; 6.6341
90; 90; 120
3360.5Hribesh, Samira O.; Clegg, William; Harrington, Ross W.; Houlton, Andrew; Pike, Andrew R.
Synthesis and crystal structure of a nickel(II) 2'-deoxy-6-thioguanosine nitrate complex.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 165-169
2312763 CIF
Paper
C10 H16 N2 O3 SP 21 21 215.17; 10.11; 20.71
90; 90; 90
1082.5Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A.
Fast event-based electron counting for small-molecule structure determination by MicroED.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 116-130
2312764 CIF
Paper
C36 H54 N2 O2P 21 21 217.16; 19.44; 29.78
90; 90; 90
4145.1Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A.
Fast event-based electron counting for small-molecule structure determination by MicroED.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 116-130
2312774 CIF
Paper
C12 H10 O4P 1 21/c 17.9043; 15.7768; 8.7381
90; 108.115; 90
1035.67Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312775 CIF
Paper
C12 H10 O3 SP 1 21/c 111.904; 7.1792; 13.6794
90; 111.708; 90
1086.15Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312776 CIF
Paper
C12 H10 O2 S2C 1 2/c 112.5314; 6.7175; 27.7746
90; 92.7398; 90
2335.38Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312777 CIF
Paper
C13 H12 O5P 1 21/n 16.8708; 10.6766; 15.7872
90; 100.253; 90
1139.6Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312778 CIF
Paper
C13 H12 O4 SP 1 21/n 16.8534; 11.2183; 15.8581
90; 98.62; 90
1205.45Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312779 CIF
Paper
C13 H12 O3 S2P 21 21 216.9815; 11.7185; 15.9642
90; 90; 90
1306.07Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180
2312780 CIF
HKL
Paper
C18 H10 Cl4.23 I1.77 N2P -14.0677; 10.9099; 12.3916
110.804; 92.66; 94.651
510.7Shapiro, Nicole M.; Govero, Mark D.; Bosch, Eric; Unruh, Daniel K.; Groeneman, Ryan H.
Mixed cocrystal approach influences the yield for a [2+2] cycloaddition reaction within a halogen-bonded organic solid.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 193-197
2312781 CIF
HKL
Paper
C18 H10 Cl4.22 I1.78 N2P -14.0273; 10.8796; 12.3274
110.481; 92.729; 94.387
502.9Shapiro, Nicole M.; Govero, Mark D.; Bosch, Eric; Unruh, Daniel K.; Groeneman, Ryan H.
Mixed cocrystal approach influences the yield for a [2+2] cycloaddition reaction within a halogen-bonded organic solid.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 193-197
2312782 CIF
Paper
C18 H27 N O3P 1 21/c 112.2165; 14.7791; 9.4719
90; 94.035; 90
1705.9Lozinšek, Matic
Single-crystal structure of the spicy capsaicin.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 188-192
2312783 CIF
HKL
Paper
C21 H39 F N2 O10 S2P 1 21 17.80545; 16.82204; 10.55058
90; 105.48; 90
1335.08Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang
Halogen-substituted benzylamine crown ether inclusion complexes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 224-229
2312784 CIF
HKL
Paper
C21 H39 Cl N2 O10 S2P 1 21/n 111.1918; 17.5673; 14.9449
90; 110.305; 90
2755.72Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang
Halogen-substituted benzylamine crown ether inclusion complexes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 224-229
2312785 CIF
HKL
Paper
C21 H39 Br N2 O10 S2P 1 21/n 111.0239; 17.6926; 15.1608
90; 105.659; 90
2847.24Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang
Halogen-substituted benzylamine crown ether inclusion complexes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 224-229
2312786 CIF
HKL
Paper
C21 H39 I N2 O10 S2P 1 21/n 112.36861; 18.69927; 13.27057
90; 111.316; 90
2859.31Wang, Yan Juan; Zhang, Yao; Tang, Yuan Yuan; Chen, Xiao Gang
Halogen-substituted benzylamine crown ether inclusion complexes.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 224-229
2312787 CIF
HKL
Paper
C12 H15 N5 O5P 18.62; 9.1565; 9.6855
70.788; 72.942; 86.976
689.32Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin G.; Leonard, Peter
8-Ethynyl-2'-deoxyisoguanosine with two tautomeric forms in the unit cell: crystal structure, packing and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 230-237
2312788 CIF
HKL
Paper
C21 H24 O2 SP 1 21/c 110.6815; 8.3698; 21.012
90; 103.564; 90
1826.12Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz
Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 238-245
2312789 CIF
HKL
Paper
C21 H24 O2P 1 21/c 112.3664; 5.3819; 25.5086
90; 93.4911; 90
1694.57Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz
Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 238-245
2312790 CIF
HKL
Paper
C24 H20 O2 S2P 1 21/n 115.2746; 6.6094; 19.8754
90; 93.5489; 90
2002.69Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz
Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 238-245
2312791 CIF
HKL
Paper
F5 Hf KP 21 21 216.2843; 7.8063; 15.8286
90; 90; 90
776.51Grigorieva, Oksana P.; Tafeenko, Viktor A.; Berdonosov, Peter S.; Dolgikh, Valery A.
KHfF<sub>5</sub>: a new representative in the M<sup>I</sup>M<sup>IV</sup>F<sub>5</sub> family.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 246-251
2312802 CIF
HKL
Paper
Cl2 Ni2 O5 Sr3I 4/m m m3.8399; 3.8399; 24.2936
90; 90; 90
358.21Yamane, Kazuki; Matsushita, Yoshitaka; Adachi, Shintaro; Hiroto, Takanobu; Matsumoto, Ryo; Terashima, Kensei; Sakurai, Hiroya; Takano, Yoshihiko
High-pressure synthesis of bilayer nickelate Sr<sub>3</sub>Ni<sub>2</sub>O<sub>5</sub>Cl<sub>2</sub> with a tetragonal crystal structure.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 259-263
2312803 CIF
HKL
Paper
C15 H24 Cl N O2P 1 21/c 114.158; 9.698; 13.509
90; 118.09; 90
1636.4Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin
Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 252-258
2312804 CIF
HKL
Paper
C18 H20 Cl N OP 1 21/c 110.1168; 12.5522; 12.6674
90; 95.466; 90
1601.29Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin
Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 252-258
2312805 CIF
HKL
Paper
C4 H10 O4I 41/a :212.789; 12.789; 6.8269
90; 90; 90
1116.6Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin
Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 252-258
2312806 CIF
HKL
Paper
C27 H38 Cl4 N4 O5P -16.8758; 11.5636; 20.2149
88.668; 82.257; 74.113
1531.62Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312807 CIF
HKL
Paper
C28 H33 Cl3 N6 O3P 1 21/c 115.3245; 19.7187; 10.2687
90; 102.051; 90
3034.6Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312808 CIF
HKL
Paper
C27 H35 Cl3 N4 O3P -17.8861; 13.2; 15.0567
64.519; 80.332; 85.943
1394.79Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312809 CIF
HKL
Paper
C26 H33 Cl3 N4 O4P -17.9118; 13.4409; 14.316
63.76; 82.393; 89.401
1351.51Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312810 CIF
HKL
Paper
C25 H29.4 Cl5 N4 O3.2P -17.8666; 12.9316; 14.7308
70.208; 81.435; 87.759
1394.18Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312811 CIF
HKL
Paper
C25 H28 Cl4 N4 O3P -18.0564; 11.5668; 15.0297
75.73; 85.666; 75.595
1314.53Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 264-272
2312832 CIF
HKL
Paper
C49 H40 Co2 N4 O14P n n a26.428; 17.871; 9.627
90; 90; 90
4547Lian, Zhaoxun; Zhao, Ning
Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-dicarboxylic acid and 4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312833 CIF
HKL
Paper
B8 Mg2 Ni2P b a m5.8791; 11.2982; 3.2771
90; 90; 90
217.676Pavlyuk, Nazar; Bondaruk, Alina; Zelinski, Anatoliy; Rozdzynska-Kielbik, Beata; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Volodymyr
New ternary boride MgNiB<sub>4</sub>: structural and hydriding properties.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312839 CIF
HKL
Paper
C54 H46 B2 F8 Fe2 N8 O4P -110.599; 13.9435; 18.859
83.672; 74.388; 71.152
2539.5Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312840 CIF
HKL
Paper
C58 H52 B2 Co2 F8 N10 O4P 1 21/n 111.9796; 12.9429; 18.6553
90; 97.868; 90
2865.3Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312841 CIF
HKL
Paper
C80 H68 B4 Co3 F16 N12 O8P -110.6863; 12.962; 15.377
80.478; 80.379; 85.651
2068.5Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312842 CIF
HKL
Paper
C56.22 H49.75 B2 F8 N8.89 O4.11 Zn2P -110.9172; 11.0896; 12.1795
101.725; 105.794; 101.012
1340.94Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312843 CIF
HKL
Paper
C59 H53.5 B2 F8 N10.5 Ni2 O4P -110.3788; 11.2806; 12.8562
74.85; 89.905; 84.861
1446.67Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312844 CIF
HKL
Paper
C59.5 H69 Cl2 N8 O10 Ru2P -18.8588; 18.8289; 20.4271
76.672; 87.948; 80.721
3272.1Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312845 CIF
HKL
Paper
C114 H114 B2 Ga2 N12 O8P -111.4707; 12.3775; 18.1357
90.729; 103.969; 103.874
2419Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312846 CIF
HKL
Paper
C18 H12 O4P b c a6.7537; 7.2976; 26.7943
90; 90; 90
1320.58Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312847 CIF
HKL
Paper
C30 H36 O10P -15.4224; 8.9702; 14.1901
81.071; 84.938; 78.087
666.03Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312848 CIF
HKL
Paper
C111.5 H108.5 B2 Mn2 N10.5 O7P 1 21/c 117.5401; 38.071; 31.818
90; 101.261; 90
20838Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312849 CIF
Paper
C11 H16 N2 O2P 1 21/c 19.2445; 12.4193; 9.991
90; 98.929; 90
1133.17Akerele, Oluwatoyin; Lemmerer, Andreas
Exploration of the structure and interactions of 4-(dimethylamino)-3-methylphenyl N-methylcarbamate (Aminocarb).
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312850 CIF
HKL
C18 H14 N2 O3P 1 21/c 111.2; 16.244; 8.058
90; 93.138; 90
1463.8Chetioui, Souheyla; Khelloul, Nawel; Boukabcha, Nourdine; Benhalima, Nadia; Smati, Sabrina; Drim, Khaled; Chouaih, Abdelkader
Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo compound methyl 2-{2-[(E)-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312851 CIF
Paper
C6 H15 NP c a 216.905; 17.549; 5.5212
90; 90; 90
669Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin
High-pressure crystal structure of n-hexylamine.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312852 CIF
Paper
C6 H15 NP c a 216.8591; 17.494; 5.4892
90; 90; 90
658.7Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin
High-pressure crystal structure of n-hexylamine.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312853 CIF
Paper
C6 H15 NP c a 216.7241; 17.052; 5.3367
90; 90; 90
611.9Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin
High-pressure crystal structure of n-hexylamine.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312854 CIF
HKL
Paper
Al F2 Na O4 SP 42/n c m :24.9196; 4.9196; 17.8704
90; 90; 90
432.51Le Bail, Armel; Lossius, Lorentz Petter; Finnestad, Jone
NaAl(SO<sub>4</sub>)F<sub>2</sub>: a single-layer two-dimensional perovskite.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312859 CIF
HKL
Paper
C20 H20 N4 O2C 1 2/c 132.429; 5.75; 19.4935
90; 105.11; 90
3509.2Cuenú-Cabezas, Fernando; Bernal, Mayra C Diaz; Castaño, Jovanny A Gómez
Synthesis and crystal structure of (E)-3-tert-butyl-N-[(2-nitrophenyl)methylidene]-1-phenyl-1H-pyrazol-5-amine: a coplanar Schiff base with enhanced π-stacking interactions.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312860 CIF
HKL
Paper
C7 H14 N4 O4 SC 1 2/c 117.7574; 12.6802; 11.138
90; 116.471; 90
2244.98Balasubramanian, Hemalatha; Vallapandian, Veerapandian; Poomani, Kumaradhas
Structure, intermolecular interactions and charge-density distribution of 2-amino-4-methoxy-6-methylpyrimidine with methylsulfamic acid and 4-hydroxybenzoic acid: a combined experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 273-281
2312861 CIF
HKL
Paper
C13 H15 N3 O4P b c a14.7425; 7.4527; 25.2333
90; 90; 90
2772.42Balasubramanian, Hemalatha; Vallapandian, Veerapandian; Poomani, Kumaradhas
Structure, intermolecular interactions and charge-density distribution of 2-amino-4-methoxy-6-methylpyrimidine with methylsulfamic acid and 4-hydroxybenzoic acid: a combined experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 273-281
2312862 CIF
HKL
Paper
C28 H21 Co N5 O6P n n a14.705; 17.574; 10.029
90; 90; 90
2591.8Cheng, Weiwei; Mei, Jie; Jiang, Haijian; Jiang, Weina
A threefold interpenetrated three-dimensional cobalt(II) coordination polymer with highly sensitive sensing for nitrofurazone in aqueous medium.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312863 CIF
Paper
C6 H14 N4 O2P 1 21 15.5791; 16.794; 10.05
90; 94.83; 90
938.3Khakurel, Krishna P.; Mahmoudi, Sohail
Structure of L-arginine and detection of trace DL-arginine by 3D ED.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312864 CIF
Paper
C6 H16 N4 O3P b c a11.718; 10.095; 16.294
90; 90; 90
1927.5Khakurel, Krishna P.; Mahmoudi, Sohail
Structure of L-arginine and detection of trace DL-arginine by 3D ED.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312865 CIF
HKL
Paper
C54 H42 Co N8 O12C 1 2/c 134.385; 9.6734; 14.2837
90; 96.57; 90
4719.8Zhao, Ning; Lian, Zhaoxun
Investigation of the third-order nonlinear optical properties of a cobalt(II) complex constructed from 4,4'-oxydibenzoic acid and 4,4'-(1H-pyrazole-3,5-diyl)dipyridine.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312866 CIF
HKL
Paper
C13 H10 Cl N O3 S2P 1 21/c 119.4293; 7.5717; 9.24
90; 97.367; 90
1348.1Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa
Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312867 CIF
HKL
Paper
C13 H10 Cl N O3 S2P -17.3358; 7.5497; 12.7675
89.854; 76.388; 82.433
680.96Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa
Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312868 CIF
HKL
Paper
C13 H10 Cl N O3 S2P -14.5789; 10.8841; 14.2344
80.726; 81.969; 88.636
693.26Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa
Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
2312869 CIF
HKL
Paper
C13 H10 Cl N O3 S2P -14.9279; 11.5581; 12.6761
99.893; 98.217; 99.634
690.19Tejchman, Waldemar; Zborowski, Krzysztof; Nitek, Wojciech; Żesławska, Ewa
Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity.
Acta crystallographica. Section C, Structural chemistry, 2025, 81

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