Abstract
C10H16N12O6S2, triclinic,
The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Data collection and handling.
| Crystal: | Colorless block |
| Size: | 0.35 × 0.25 × 0.22 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.34 mm−1 |
| Diffractometer, scan mode: | XtaLAB AFC10 (RCD3), ω |
| θ max, completeness: | 30.9°, >99% |
| N(hkl)measured, N(hkl)unique, R int: | 14,660, 5143, 0.014 |
| Criterion for I obs, N(hkl)gt: | I obs > 2 σ(I obs), 4688 |
| N(param)refined: | 271 |
| Programs: | CrysAlisPRO [1], SHELX [2], Olex2 [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | U iso*/U eq |
|---|---|---|---|---|
| S1 | −0.02938 (4) | 1.14231 (2) | 0.24276 (3) | 0.02553 (8) |
| N1 | −0.08184 (12) | 0.92768 (9) | 0.41287 (8) | 0.02321 (18) |
| N2 | 0.31167 (11) | 1.00396 (8) | 0.23385 (8) | 0.02025 (17) |
| N3 | 0.46678 (11) | 0.94566 (8) | 0.22837 (8) | 0.02179 (18) |
| H3 | 0.489769 | 0.872227 | 0.281252 | 0.026* |
| N4 | 0.54896 (12) | 1.11884 (9) | 0.06023 (9) | 0.02497 (19) |
| H4A | 0.623089 | 1.156278 | 0.002427 | 0.030* |
| H4B | 0.452541 | 1.155728 | 0.066689 | 0.030* |
| N5 | 0.72923 (12) | 0.94579 (10) | 0.13173 (9) | 0.0273 (2) |
| H5A | 0.805461 | 0.981200 | 0.074764 | 0.033* |
| H5B | 0.748427 | 0.871488 | 0.184202 | 0.033* |
| C1 | −0.22320 (15) | 1.11768 (12) | 0.32364 (12) | 0.0284 (2) |
| H1 | −0.312389 | 1.176945 | 0.311035 | 0.034* |
| C2 | −0.22817 (14) | 0.99984 (11) | 0.40844 (11) | 0.0266 (2) |
| H2 | −0.324413 | 0.969667 | 0.460351 | 0.032* |
| C3 | 0.03466 (13) | 0.99220 (9) | 0.33083 (9) | 0.01957 (19) |
| C4 | 0.20394 (14) | 0.93955 (10) | 0.31734 (10) | 0.0211 (2) |
| H4 | 0.234070 | 0.858913 | 0.369479 | 0.025* |
| C5 | 0.58299 (13) | 1.00537 (10) | 0.13861 (9) | 0.01993 (19) |
| S1A | 1.22478 (4) | 0.55622 (3) | 1.00624 (3) | 0.02790 (8) |
| N1A | 1.32956 (13) | 0.32877 (9) | 1.06870 (9) | 0.0256 (2) |
| N2A | 1.19702 (12) | 0.51244 (8) | 0.76713 (8) | 0.02126 (18) |
| N3A | 1.20609 (12) | 0.50465 (8) | 0.65399 (8) | 0.02169 (18) |
| H3A | 1.260960 | 0.443648 | 0.642744 | 0.026* |
| N4A | 1.01502 (13) | 0.67214 (9) | 0.58345 (9) | 0.02411 (19) |
| H4AA | 0.962792 | 0.728763 | 0.523990 | 0.029* |
| H4AB | 0.994036 | 0.666128 | 0.657812 | 0.029* |
| N5A | 1.16450 (13) | 0.59928 (9) | 0.44882 (8) | 0.02395 (19) |
| H5AA | 1.114858 | 0.654655 | 0.387025 | 0.029* |
| H5AB | 1.238466 | 0.547044 | 0.437522 | 0.029* |
| C1A | 1.27698 (16) | 0.47576 (12) | 1.15541 (10) | 0.0286 (2) |
| H1A | 1.270341 | 0.508253 | 1.216909 | 0.034* |
| C2A | 1.32931 (16) | 0.35815 (11) | 1.17141 (10) | 0.0279 (2) |
| H2A | 1.363031 | 0.300708 | 1.247257 | 0.033* |
| C3A | 1.27680 (14) | 0.42520 (10) | 0.97454 (10) | 0.0208 (2) |
| C4A | 1.27005 (15) | 0.42237 (10) | 0.85270 (10) | 0.0234 (2) |
| H4AC | 1.318780 | 0.355105 | 0.836762 | 0.028* |
| C5A | 1.12731 (13) | 0.59449 (9) | 0.56061 (9) | 0.01926 (19) |
| O1 | 0.98220 (10) | 0.74665 (8) | 0.23715 (7) | 0.02680 (17) |
| O2 | 1.24634 (11) | 0.74315 (8) | 0.16780 (8) | 0.03120 (19) |
| O3 | 1.05183 (13) | 0.86196 (10) | 0.05015 (8) | 0.0437 (3) |
| N6 | 1.09389 (12) | 0.78448 (8) | 0.15090 (8) | 0.02186 (18) |
| O1A | 1.39236 (12) | 0.29907 (8) | 0.61837 (7) | 0.0319 (2) |
| O2A | 1.40854 (13) | 0.41839 (8) | 0.42539 (8) | 0.0350 (2) |
| O3A | 1.51643 (12) | 0.23101 (8) | 0.48687 (9) | 0.0339 (2) |
| N6A | 1.43877 (12) | 0.31603 (9) | 0.50890 (9) | 0.02292 (18) |
Source of material
2-Thiazolecarboxaldehyde (1.13 g, 0.01 mol) was placed in 15 ml ethanol at room temperature, added into aminoguanidine nitrate (1.37 g, 0.01 mol) solution containing 10 ml water and 8 ml ethanol. The mixture was heated and stirred for 8 h, cooled to room temperature. Then the precipitate was removed, and the filtrate was left standing to precipitate colorless block crystal.
Experimental details
Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.
Comment
Schiff Base compounds have attracted many researchers due to their catalysis [4], simulation of biological enzymes and antibodies, molecular recognition [5] and other aspects. This is mainly due to the C=N group interaction. In recent decades, the preparation, physical and chemical properties of Schiff bases and their complexes have been extensively reported. They can be used as chelating agents [6], stabilizers [7] and bioactive agents [8]. The thiazole ring exists in many kinds of bioactive heterocycles and natural products, and is considered as the main component of many bioactive compounds. It is reported that Schiff bases containing thiazole may show a wide range of applications in medicine [9], as an antioxidant [10], or in catalysis [11]. Therefore, the synthesis and properties of thiazoles Schiff bases have become a very active topic in heterocyclic chemistry and coordination chemistry. According to previous studies [12, 13], we synthesized the title compound.
The structure of the title compound contains a pair of independent cations and anions (see the figure). Moreover, all bond lengths and bond angles of the title compound are in the normal range [14].
Funding source: Henan University of Science and Technology Distinguished Professor Open Fund http://dx.doi.org/10.13039/501100003172
Award Identifier / Grant number: 135100001
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Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: This study was funded by the Henan University of Science and Technology Distinguished Professor Open Fund (Grant No. 135100001).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
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© 2022 Ze-Sen Jin et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2
- Crystal structure of 6-methyl-3-(pyrrolidine-1-carbonyl)-2H-chromen-2-one, C15H15N1O3
- Crystal structure of 4-methyl-4-nitropentanoic acid, C6H11NO4
- The crystal structure of (E)-3-(furan-2-yl)acrylonitrile, C7H5NO
- Crystal structure of 3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanoacridin-9-yl)-1H-pyrazole-4-carboxamide monohydrate, C23H26F2N4O3
- Crystal structure of 2-(4-bromobenzyloxy)-6-chloropyridine, C12H9BrClNO
- Crystal structure of N-(4-bromo-2,6-dichloro-phenyl)pyrazin-2-amine, C10H6BrCl2N3
- Crystal structure of (E)-1-(2–nitrophenyl)-3-phenylprop-2-en-1-one, C15H11NO3
- The crystal structure of (E)-3-chloro-2-(2-(4-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3
- Crystal structure of (E)-amino(2-(thiazol-2-ylmethylene)hydrazineyl)methaniminium nitrate, C10H16N12O6S2
- Crystal structure of 9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrido [1′,2′:1,6]pyrazino[2,3-b]quinoxaline, C15H18N4O
- The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4
- Crystal structure of bis(bis(triphenylphosphine)iminium) tetradecacarbonyltetratelluridopentaferrate(2-), (PPN)2[Fe5Te4(CO)14]
- Crystal structure of 4-Hydroxy-3-(naphthalen-2-ylthio)pent-3-en-2-one, C15H14O2S
- The crystal structure of [(1,10-phenanthroline-κ2 N,N)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)nickel(II)] monohydrate, C36H26N4O5Ni
- Crystal structure of 3,3′-(pyridine-2,6-diylbis(methylene))bis(1-propyl-1H-imidazol-3-ium) ditetrafluoroborate, C19H27B2F8N5
- The crystal structure of (E)-1-(4-aminophenyl)-3-(p-tolyl)prop-2-en-1-one, C16H15NO
- The crystal structure of poly[(μ2-terephthalato-κ4O,O′: O″,O‴)-(μ4-terephthalato-κ4O:O′:O″:O‴)-{μ4-(1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ4O:O′:O″,O‴)}dicadmium(II)] – water – acetronitrile (1/2/2), C38H36N14O10Cd2
- The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)cobalt(II)–water–N,N-dimethylformamide(1/2/1), C27H31N3O9Co
- The co-crystal structure of 4-hydroxy-3-methoxybenzoic acid – 4,4′-bipyridine, C8H8O4·C10H8N2
- Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2N:N′)-bis(4-bromobenzoate-κ1O)cobalt(II)], C32H22Br2CoN4O4
- Crystal structure of (E)-5-propyl-4-((pyridin-2-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione – methanol (1/1), C11H13N5S
- The crystal structure of (Z)-4-bromo-6-(((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)methylene)cyclohexa-2,4-dien-1-one monohydrate, C11H16BrNO5
- Crystal structure of bis(tetrapropylammonium) nonaselenidotetrastannate(IV), (Pr4N)2[Sn4Se9]
- Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO
- Crystal structure of (2,2′-((naphthalen-1-ylmethyl)azanediyl)diacetato-κ3 N,O,O′)-(1,10-phenanthroline-κ2 N,N′)-copper(II) trihydrate, CuC27H27N3O7
- The crystal structure of tetrakis(6-phenylpyridine-2-carboxylato-κ2N,O)-bis(1H-pyrazol-3-ylamine-κ2 N:N)dicobalt(II) dihydrate, C27H23N5O5Co
- The crystal structure of bis((E)-2-((tert-butylimino)methyl)-4-chlorophenolato-κ2N,O)zinc(II), C22H26Cl2N2O2Zn
- The crystal structure of poly[diaqua-(μ3-5-nitrobenzene-1,2,3-tricarboxylato-κ3O:O′:O′)-(μ2-4,4′-dipyridylamine-κ2N:N′)copper(II)], C38H30Cu3N8O20
- The crystal structure of (E)-1-ferrocenyl-3-(naphthalen-1-yl)prop-2-en-1-one, C23H18FeO
- The crystal structure of (E)-1-ferrocenyl-3-(4-isopropylphenyl)prop-2-en-1-one, C22H22FeO
- Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4
- The crystal structure of (2E,4E)-1-ferrocenyl-5-phenylpenta-2,4-dien-1-one, C21H18FeO
- Crystal structure of alaninato-κ2N,O-bis(hydroxylamido-κ2N,O)-oxido-vanadium(V), C3H10N3O5V
- Crystal structure of catena-poly[aqua-bis[μ2-6-(1H-imidazol-1-yl)nicotinato-κ2 N,O]copper(II)], C18H14N6O5Cu
- Crystal structure of diethyl 4,6-diphenyl-1,9-di-p-tolylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,5(2H)-dicarboxylate, C42H42N2O4
- The crystal structure of cobalt cadmium bis(hydrogenphosphate) bis(phosphate(V)) tetrahydrate, H10O20P4Co3.14Cd1.86
- Crystal structure of dimethyl 1,4,6,9-tetraphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,7(2H)-dicarboxylate, C38H34N2O4
- Crystal structure of (Z)-4-(furan-2-yl((4-iodophenyl)amino)methylene)-5-methyl-2(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one, C21H16I N3O2
- Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6
- Crystal structure of 6-bromo-2-(4-chlorophenyl)chroman-4-one (6-bromo-4′-chloroflavanone), C15H10BrClO2
- The crystal structure of 2-(benzhydryloxy)-3-nitropyridine, C18H14N2O3
- The crystal structure of 1,3(4,1)-dipyridin-1-iuma-2(1,8)-diethynylanthracena-5(1,3)-benzenacyclohexaphane-11,31-diium bis(hexafluoridophosphate), C36H24F12N2P2
- Crystal structure of 3,6-di-tert-butyl-1-iodo-9-methyl-8-(pyren-1-ylethynyl)-9H-carbazole, C39H34IN
- The cocrystal 2-(dimethylammonio)-5-nitrobenzoate – 2-(dimethylamino)-5-nitrobenzoic acid, C9H10N2O4
- Crystal structure of 5-nitroquinazolin-4(3H)-one, C8H5N3O3
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2
- Crystal structure of 6-methyl-3-(pyrrolidine-1-carbonyl)-2H-chromen-2-one, C15H15N1O3
- Crystal structure of 4-methyl-4-nitropentanoic acid, C6H11NO4
- The crystal structure of (E)-3-(furan-2-yl)acrylonitrile, C7H5NO
- Crystal structure of 3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanoacridin-9-yl)-1H-pyrazole-4-carboxamide monohydrate, C23H26F2N4O3
- Crystal structure of 2-(4-bromobenzyloxy)-6-chloropyridine, C12H9BrClNO
- Crystal structure of N-(4-bromo-2,6-dichloro-phenyl)pyrazin-2-amine, C10H6BrCl2N3
- Crystal structure of (E)-1-(2–nitrophenyl)-3-phenylprop-2-en-1-one, C15H11NO3
- The crystal structure of (E)-3-chloro-2-(2-(4-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3
- Crystal structure of (E)-amino(2-(thiazol-2-ylmethylene)hydrazineyl)methaniminium nitrate, C10H16N12O6S2
- Crystal structure of 9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrido [1′,2′:1,6]pyrazino[2,3-b]quinoxaline, C15H18N4O
- The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4
- Crystal structure of bis(bis(triphenylphosphine)iminium) tetradecacarbonyltetratelluridopentaferrate(2-), (PPN)2[Fe5Te4(CO)14]
- Crystal structure of 4-Hydroxy-3-(naphthalen-2-ylthio)pent-3-en-2-one, C15H14O2S
- The crystal structure of [(1,10-phenanthroline-κ2 N,N)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)nickel(II)] monohydrate, C36H26N4O5Ni
- Crystal structure of 3,3′-(pyridine-2,6-diylbis(methylene))bis(1-propyl-1H-imidazol-3-ium) ditetrafluoroborate, C19H27B2F8N5
- The crystal structure of (E)-1-(4-aminophenyl)-3-(p-tolyl)prop-2-en-1-one, C16H15NO
- The crystal structure of poly[(μ2-terephthalato-κ4O,O′: O″,O‴)-(μ4-terephthalato-κ4O:O′:O″:O‴)-{μ4-(1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ4O:O′:O″,O‴)}dicadmium(II)] – water – acetronitrile (1/2/2), C38H36N14O10Cd2
- The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)cobalt(II)–water–N,N-dimethylformamide(1/2/1), C27H31N3O9Co
- The co-crystal structure of 4-hydroxy-3-methoxybenzoic acid – 4,4′-bipyridine, C8H8O4·C10H8N2
- Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2N:N′)-bis(4-bromobenzoate-κ1O)cobalt(II)], C32H22Br2CoN4O4
- Crystal structure of (E)-5-propyl-4-((pyridin-2-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione – methanol (1/1), C11H13N5S
- The crystal structure of (Z)-4-bromo-6-(((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)methylene)cyclohexa-2,4-dien-1-one monohydrate, C11H16BrNO5
- Crystal structure of bis(tetrapropylammonium) nonaselenidotetrastannate(IV), (Pr4N)2[Sn4Se9]
- Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO
- Crystal structure of (2,2′-((naphthalen-1-ylmethyl)azanediyl)diacetato-κ3 N,O,O′)-(1,10-phenanthroline-κ2 N,N′)-copper(II) trihydrate, CuC27H27N3O7
- The crystal structure of tetrakis(6-phenylpyridine-2-carboxylato-κ2N,O)-bis(1H-pyrazol-3-ylamine-κ2 N:N)dicobalt(II) dihydrate, C27H23N5O5Co
- The crystal structure of bis((E)-2-((tert-butylimino)methyl)-4-chlorophenolato-κ2N,O)zinc(II), C22H26Cl2N2O2Zn
- The crystal structure of poly[diaqua-(μ3-5-nitrobenzene-1,2,3-tricarboxylato-κ3O:O′:O′)-(μ2-4,4′-dipyridylamine-κ2N:N′)copper(II)], C38H30Cu3N8O20
- The crystal structure of (E)-1-ferrocenyl-3-(naphthalen-1-yl)prop-2-en-1-one, C23H18FeO
- The crystal structure of (E)-1-ferrocenyl-3-(4-isopropylphenyl)prop-2-en-1-one, C22H22FeO
- Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4
- The crystal structure of (2E,4E)-1-ferrocenyl-5-phenylpenta-2,4-dien-1-one, C21H18FeO
- Crystal structure of alaninato-κ2N,O-bis(hydroxylamido-κ2N,O)-oxido-vanadium(V), C3H10N3O5V
- Crystal structure of catena-poly[aqua-bis[μ2-6-(1H-imidazol-1-yl)nicotinato-κ2 N,O]copper(II)], C18H14N6O5Cu
- Crystal structure of diethyl 4,6-diphenyl-1,9-di-p-tolylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,5(2H)-dicarboxylate, C42H42N2O4
- The crystal structure of cobalt cadmium bis(hydrogenphosphate) bis(phosphate(V)) tetrahydrate, H10O20P4Co3.14Cd1.86
- Crystal structure of dimethyl 1,4,6,9-tetraphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,7(2H)-dicarboxylate, C38H34N2O4
- Crystal structure of (Z)-4-(furan-2-yl((4-iodophenyl)amino)methylene)-5-methyl-2(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one, C21H16I N3O2
- Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6
- Crystal structure of 6-bromo-2-(4-chlorophenyl)chroman-4-one (6-bromo-4′-chloroflavanone), C15H10BrClO2
- The crystal structure of 2-(benzhydryloxy)-3-nitropyridine, C18H14N2O3
- The crystal structure of 1,3(4,1)-dipyridin-1-iuma-2(1,8)-diethynylanthracena-5(1,3)-benzenacyclohexaphane-11,31-diium bis(hexafluoridophosphate), C36H24F12N2P2
- Crystal structure of 3,6-di-tert-butyl-1-iodo-9-methyl-8-(pyren-1-ylethynyl)-9H-carbazole, C39H34IN
- The cocrystal 2-(dimethylammonio)-5-nitrobenzoate – 2-(dimethylamino)-5-nitrobenzoic acid, C9H10N2O4
- Crystal structure of 5-nitroquinazolin-4(3H)-one, C8H5N3O3