Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
Abstract
C52H40N2O10Mn2, monoclinic, I2/a (no. 15), a = 8.6162(4) Å, b = 11.0217(5) Å, c = 45.266(2) Å, β = 92.828(4)°, V = 4293.5(3) Å3, Z = 4, Rgt(F) = 0.0476, wRref(F2) = 0.0988, T = 293(2) K.

A part of the title crystal structure is shown in the figure (B = 0.5 − x, 0.5 − y, 0.5 − z; C = 1.5 − x, y, 1 − z; D = x, −1 + y, z). Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Colorless block |
| Size: | 0.45 × 0.35 × 0.26 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.66 mm−1 |
| Diffractometer, scan mode: | SuperNova, ω-scans |
| θmax, completeness: | 25.5°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 11721, 3974, 0.048 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 2974 |
| N(param)refined: | 300 |
| Programs: | CrysAlisPRO [1], SHELX [2], OLEX2 [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| Mn1 | 0.35544(4) | 0.13369(4) | 0.282625(9) | 0.01968(14) |
| N1 | 0.4165(3) | 0.1270(2) | 0.33493(5) | 0.0291(6) |
| O1 | 0.1123(2) | 0.1707(2) | 0.28738(5) | 0.0402(6) |
| H1A | 0.0545 | 0.1137 | 0.2793 | 0.060* |
| H1B | 0.0874 | 0.2390 | 0.2787 | 0.060* |
| O2 | 0.1679(2) | 0.40299(17) | 0.26388(4) | 0.0256(5) |
| O3 | 0.3716(2) | 0.32517(18) | 0.28970(4) | 0.0298(5) |
| O4 | 0.0980(2) | 0.88168(18) | 0.27749(4) | 0.0288(5) |
| O5 | 0.3342(2) | 0.94278(17) | 0.29192(4) | 0.0282(5) |
| C1 | 0.3590(4) | 0.2021(3) | 0.35456(7) | 0.0335(8) |
| H1 | 0.2813 | 0.2558 | 0.3481 | 0.040* |
| C2 | 0.4084(4) | 0.2049(3) | 0.38413(7) | 0.0369(8) |
| H2 | 0.3636 | 0.2591 | 0.3969 | 0.044* |
| C3 | 0.5252(3) | 0.1267(3) | 0.39470(6) | 0.0307(8) |
| C4 | 0.5842(4) | 0.0488(3) | 0.37411(7) | 0.0347(8) |
| H4 | 0.6625 | −0.0054 | 0.3799 | 0.042* |
| C5 | 0.5282(3) | 0.0508(3) | 0.34509(6) | 0.0316(8) |
| H5 | 0.5699 | −0.0034 | 0.3319 | 0.038* |
| C6 | 0.5873(4) | 0.1273(3) | 0.42589(7) | 0.0365(8) |
| C7 | 0.5761(4) | 0.2283(3) | 0.44386(7) | 0.0475(10) |
| H7 | 0.5257 | 0.2973 | 0.4365 | 0.057* |
| C8 | 0.6388(4) | 0.2284(3) | 0.47265(7) | 0.0527(10) |
| H8 | 0.6290 | 0.2976 | 0.4842 | 0.063* |
| C9 | 0.7155(4) | 0.1286(3) | 0.48465(7) | 0.0449(10) |
| C10 | 0.7261(5) | 0.0276(3) | 0.46666(8) | 0.0582(11) |
| H10 | 0.7771 | −0.0412 | 0.4740 | 0.070* |
| C11 | 0.6629(4) | 0.0268(3) | 0.43817(7) | 0.0550(11) |
| H11 | 0.6710 | −0.0430 | 0.4268 | 0.066* |
| C12 | 0.3026(3) | 0.5268(2) | 0.29955(6) | 0.0208(6) |
| C13 | 0.2393(3) | 0.6347(3) | 0.28854(6) | 0.0200(6) |
| H13 | 0.1765 | 0.6345 | 0.2712 | 0.024* |
| C14 | 0.2700(3) | 0.7427(2) | 0.30347(6) | 0.0196(6) |
| C15 | 0.3528(3) | 0.7400(3) | 0.33064(6) | 0.0233(7) |
| H15 | 0.3726 | 0.8124 | 0.3407 | 0.028* |
| C16 | 0.4067(3) | 0.6321(3) | 0.34317(6) | 0.0218(7) |
| C17 | 0.3865(3) | 0.5267(3) | 0.32662(6) | 0.0233(7) |
| H17 | 0.4299 | 0.4546 | 0.3338 | 0.028* |
| C18 | 0.4817(3) | 0.6297(3) | 0.37360(6) | 0.0254(7) |
| C19 | 0.4377(4) | 0.7117(3) | 0.39493(7) | 0.0356(8) |
| H19 | 0.3648 | 0.7712 | 0.3898 | 0.043* |
| C20 | 0.5003(4) | 0.7066(3) | 0.42368(7) | 0.0450(9) |
| H20 | 0.4679 | 0.7622 | 0.4375 | 0.054* |
| C21 | 0.6099(4) | 0.6204(3) | 0.43217(7) | 0.0451(9) |
| C22 | 0.6555(4) | 0.5401(3) | 0.41094(7) | 0.0434(9) |
| H22 | 0.7301 | 0.4818 | 0.4161 | 0.052* |
| C23 | 0.5931(3) | 0.5441(3) | 0.38215(7) | 0.0358(8) |
| H23 | 0.6264 | 0.4885 | 0.3684 | 0.043* |
| C24 | 0.2795(3) | 0.4101(3) | 0.28281(6) | 0.0210(6) |
| C25 | 0.2274(3) | 0.8640(3) | 0.28984(6) | 0.0203(6) |
| C26 | 0.6765(5) | 0.6131(4) | 0.46368(8) | 0.0840(16) |
| H26A | 0.6062 | 0.5692 | 0.4755 | 0.126* |
| H26B | 0.6909 | 0.6936 | 0.4715 | 0.126* |
| H26C | 0.7748 | 0.5720 | 0.4640 | 0.126* |
Source of material
A mixture of Mn(OAc)2 ⋅ 4H2O (0.024 g, 0.1 mmol), 4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylic acid (0.1 mmol, 0.0256 g), 4,4′-bis(pyrid-4-yl)biphenyl (0.1 mmol, 0.0308 g) and distilled water (10 mL) was heated in a 25 mL stainless steel reactor with a Teflon liner at 423 K for 30 h, followed by slow cooling to room temperature. Colourless crystals of the compound formed.
Experimental details
Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.
Discussion
The synthetic development of coordination polymers (CPs) continues to attract much attention because of their intriguing structural topologies and potential applications in gas storage, separation, sensing and heterogeneous catalysis [4], [5], [6], [7], [8], [9]. The organic carboxylate ligands have been proven to be good candidates for the construction of CPs [10], [11], [12]. For example, polycarboxylates present versatile coordination modes to construct coordination polymers [13], [14]. Mixed multicarboxylate and nitrogen donor linkers have been widely utilized to construct CPs.
The asymmetric unit of the title structure contains one Mn(II) metal center, one 4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato ligand, and one 4,4′-bis(pyrid-4-yl)biphenyl ligand to construct a 3D-coordination polymer. The manganese atom is six-coordinated by one water ligand, by four oxygen atoms and one nitrogen atom. The Mn-O bond lengths range from 2.1211(18) to 2.1556(19) Å. The bond angles of O-Mn-O are in the range of 81.64(8)° to 173.65(8)°. All moieties are connected by hydrogen bonds d(O(1)⋯O(2)) = 2.822(3) Å, d(O(1)⋯O(4)A) = 3.218(3) Å, d(O(1)⋯O(5)B) = 2.719(3) Å. Symmetry codes: A x, y − 1, z; B x − 1/2, − y + 1, z.
Funding source: Natural Science Foundation of Henan Province
Award Identifier / Grant number: 182102310909
Funding statement: This work was supported by the Institutions of higher learning key scientific research project of Henan Province (18B150015) and the Natural Science Foundation of Henan Province (182102310909)
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©2019 Shi-Jun Chen et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 Public License.
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
- Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
- Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
- Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
- The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
- Crystal structure of (1,4-diazepane)4CuII2(μ-Cl)10CuI6, C20H48Cl10Cu8N8
- Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S
- Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
- Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S
- Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
- Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
- Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
- Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
- Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
- The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
- Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
- Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
- Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4
- Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru
- Crystal structure of 2-((4-nitrophenyl)thio)ethan-1-ol, C8H9NO3S
- Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3
- Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4
- The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
- Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
- Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
- Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
- The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
- Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
- The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
- The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
- Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
- Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
- The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
- Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
- Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
- Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
- Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
- Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
- Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
- Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
- Crystal structure of triethylammonium(5-carboxypyridine-2-thiolato-κ2N,S)-bis(dimethylsulfoxide-κ1S)-(6-sulfidonicotinato-κ2N,S)ruthenium(II) trihydrate, C22H41N3O9RuS4
- The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
- Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
- Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co
- Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1O)tricopper(II) - water (1/4), C62H70Cu3N4O32
- Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
- Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
- Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
- Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
- Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
- Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
- Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
- Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
- Crystal structure of ajacisine D monohydrate, C30H44N2O9
- The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
- Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
- The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
- Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
- Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
- Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
- Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
- Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
- The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
- Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
- Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
- Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
- The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
- Crystal structure of 2-isopropylthioxanthone, C16H14OS
- Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
- Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
- Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
- Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
- Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
- Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
- Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
- Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
- Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
- The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
- Crystal structure of (1,4-diazepane)4CuII2(μ-Cl)10CuI6, C20H48Cl10Cu8N8
- Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S
- Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
- Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S
- Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
- Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
- Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
- Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
- Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
- The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
- Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
- Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
- Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4
- Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru
- Crystal structure of 2-((4-nitrophenyl)thio)ethan-1-ol, C8H9NO3S
- Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3
- Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4
- The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
- Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
- Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
- Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
- The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
- Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
- The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
- The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
- Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
- Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
- The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
- Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
- Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
- Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
- Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
- Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
- Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
- Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
- Crystal structure of triethylammonium(5-carboxypyridine-2-thiolato-κ2N,S)-bis(dimethylsulfoxide-κ1S)-(6-sulfidonicotinato-κ2N,S)ruthenium(II) trihydrate, C22H41N3O9RuS4
- The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
- Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
- Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co
- Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1O)tricopper(II) - water (1/4), C62H70Cu3N4O32
- Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
- Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
- Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
- Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
- Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
- Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
- Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
- Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
- Crystal structure of ajacisine D monohydrate, C30H44N2O9
- The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
- Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
- The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
- Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
- Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
- Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
- Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
- Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
- The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
- Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
- Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
- Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
- The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
- Crystal structure of 2-isopropylthioxanthone, C16H14OS
- Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
- Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
- Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
- Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
- Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
- Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS