Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9
Abstract
C29H52Cl2N4NiO9, monoclinic, P21/n (no. 14), a =10.8347(19) Å, b = 14.502(3) Å, c = 21.731(4) Å, β = 93.344(2)°, V = 3408.6(10) Å3, Z = 4, Rgt(F) = 0.0360, wRref(F2) = 0.1009, T = 296(2) K.

The crystal structure is shown in the figure. Hydrogen atoms are omitted for clarity. 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: | Prism, blue |
| Size: | 0.45 × 0.42 × 0.30 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.78 mm−1 |
| Diffractometer, scan mode: | Bruker SMART, φ and ω-scans |
| θmax, completeness: | 27.5°, >97% (up to 25.2°, >99%) |
| N(hkl)measured, N(hkl)unique, Rint: | 37399, 7623, 0.019 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 6625 |
| N(param)refined: | 419 |
| Programs: | Bruker programs [1], SHELX [2], [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| Ni1 | 0.26359(2) | 0.52040(2) | 0.16501(2) | 0.02486(8) |
| Cl1 | 0.82771(6) | 0.82560(4) | 0.19051(3) | 0.05458(16) |
| Cl2 | −0.34104(7) | 0.02911(5) | 0.00498(4) | 0.0705(2) |
| N1 | 0.09651(14) | 0.51940(11) | 0.10828(7) | 0.0305(3) |
| H1C | 0.1159 | 0.4846 | 0.0714 | 0.037* |
| N2 | 0.27869(14) | 0.65691(10) | 0.13539(7) | 0.0295(3) |
| H2C | 0.2389 | 0.6962 | 0.1651 | 0.035* |
| N3 | 0.42254(14) | 0.53193(11) | 0.22709(7) | 0.0294(3) |
| H3A | 0.4565 | 0.4695 | 0.2313 | 0.035* |
| N4 | 0.16406(13) | 0.53492(10) | 0.24460(7) | 0.0265(3) |
| H4D | 0.1503 | 0.6012 | 0.2499 | 0.032* |
| O1 | 0.29848(12) | 0.36685(9) | 0.16072(6) | 0.0344(3) |
| O1W | 0.34802(17) | 0.24713(12) | 0.25914(8) | 0.0539(4) |
| H1WB | 0.322(2) | 0.2800(17) | 0.2283(9) | 0.065* |
| H1WA | 0.4210(13) | 0.2635(19) | 0.2701(11) | 0.065* |
| O2 | 0.34195(13) | 0.46143(9) | 0.08699(6) | 0.0351(3) |
| O3 | 0.21761(13) | 0.18276(10) | 0.08573(6) | 0.0397(3) |
| O4 | 0.17587(14) | 0.28523(10) | 0.00549(6) | 0.0389(3) |
| O5 | 0.7527(2) | 0.8441(2) | 0.23994(11) | 0.0928(7) |
| O6 | 0.9437(2) | 0.8692(2) | 0.19691(14) | 0.1018(9) |
| O7 | 0.7664(3) | 0.8636(4) | 0.13739(14) | 0.1602(18) |
| O8 | 0.8442(4) | 0.7349(2) | 0.1815(3) | 0.203(3) |
| C1 | 0.07826(19) | 0.61579(15) | 0.08696(10) | 0.0403(5) |
| H1A | 0.0360 | 0.6506 | 0.1175 | 0.048* |
| H1B | 0.0274 | 0.6165 | 0.0487 | 0.048* |
| C2 | 0.2013(2) | 0.65943(15) | 0.07704(9) | 0.0397(5) |
| H2A | 0.2422 | 0.6263 | 0.0452 | 0.048* |
| H2B | 0.1895 | 0.7228 | 0.0636 | 0.048* |
| C3 | 0.40550(18) | 0.69357(13) | 0.12869(9) | 0.0335(4) |
| H3 | 0.4454 | 0.6557 | 0.0982 | 0.040* |
| C4 | 0.4040(2) | 0.79333(16) | 0.10613(12) | 0.0501(6) |
| H4A | 0.3595 | 0.7969 | 0.0667 | 0.075* |
| H4B | 0.4873 | 0.8142 | 0.1024 | 0.075* |
| H4C | 0.3642 | 0.8316 | 0.1351 | 0.075* |
| C5 | 0.48196(19) | 0.68724(14) | 0.18932(9) | 0.0362(4) |
| H5A | 0.4328 | 0.7123 | 0.2213 | 0.043* |
| H5B | 0.5532 | 0.7272 | 0.1865 | 0.043* |
| C6 | 0.52901(17) | 0.59238(14) | 0.21085(9) | 0.0341(4) |
| C7 | 0.59570(19) | 0.54337(16) | 0.16040(11) | 0.0437(5) |
| H7A | 0.6347 | 0.4886 | 0.1769 | 0.066* |
| H7B | 0.6573 | 0.5836 | 0.1451 | 0.066* |
| H7C | 0.5372 | 0.5271 | 0.1273 | 0.066* |
| C8 | 0.62207(19) | 0.60658(18) | 0.26621(11) | 0.0472(5) |
| H8A | 0.5863 | 0.6459 | 0.2959 | 0.071* |
| H8B | 0.6959 | 0.6346 | 0.2525 | 0.071* |
| H8C | 0.6422 | 0.5480 | 0.2848 | 0.071* |
| C9 | 0.37464(17) | 0.55461(15) | 0.28784(9) | 0.0351(4) |
| H9A | 0.3634 | 0.6208 | 0.2911 | 0.042* |
| H9B | 0.4340 | 0.5354 | 0.3205 | 0.042* |
| C10 | 0.25306(17) | 0.50647(15) | 0.29512(9) | 0.0340(4) |
| H10A | 0.2648 | 0.4402 | 0.2940 | 0.041* |
| H10B | 0.2213 | 0.5225 | 0.3345 | 0.041* |
| C11 | 0.04105(17) | 0.48930(13) | 0.24930(9) | 0.0316(4) |
| H11 | 0.0537 | 0.4224 | 0.2503 | 0.038* |
| C12 | −0.0210(2) | 0.51756(18) | 0.30777(10) | 0.0472(5) |
| H12A | 0.0344 | 0.5062 | 0.3431 | 0.071* |
| H12B | −0.0952 | 0.4823 | 0.3112 | 0.071* |
| H12C | −0.0411 | 0.5820 | 0.3058 | 0.071* |
| C13 | −0.04677(17) | 0.51258(14) | 0.19390(9) | 0.0336(4) |
| H13A | −0.0513 | 0.5792 | 0.1907 | 0.040* |
| H13B | −0.1285 | 0.4910 | 0.2029 | 0.040* |
| C14 | −0.01813(17) | 0.47499(14) | 0.13036(9) | 0.0343(4) |
| C15 | −0.1293(2) | 0.4952(2) | 0.08481(11) | 0.0511(6) |
| H15A | −0.1509 | 0.5592 | 0.0872 | 0.077* |
| H15B | −0.1985 | 0.4581 | 0.0952 | 0.077* |
| H15C | −0.1078 | 0.4808 | 0.0437 | 0.077* |
| C16 | 0.0032(2) | 0.37139(16) | 0.13215(12) | 0.0488(5) |
| H16A | 0.0133 | 0.3492 | 0.0911 | 0.073* |
| H16B | −0.0667 | 0.3416 | 0.1488 | 0.073* |
| H16C | 0.0763 | 0.3580 | 0.1577 | 0.073* |
| C17 | 0.33519(16) | 0.38038(13) | 0.10742(8) | 0.0295(4) |
| C18 | 0.37371(18) | 0.30143(13) | 0.06555(9) | 0.0333(4) |
| C19 | 0.5133(2) | 0.31096(17) | 0.05644(12) | 0.0490(5) |
| H19A | 0.5352 | 0.2690 | 0.0241 | 0.059* |
| H19B | 0.5295 | 0.3732 | 0.0426 | 0.059* |
| C20 | 0.5958(2) | 0.2913(2) | 0.11373(15) | 0.0651(7) |
| H20A | 0.5715 | 0.3297 | 0.1469 | 0.098* |
| H20B | 0.6802 | 0.3042 | 0.1055 | 0.098* |
| H20C | 0.5880 | 0.2277 | 0.1250 | 0.098* |
| C21 | 0.34589(19) | 0.20577(14) | 0.09103(10) | 0.0377(4) |
| H21A | 0.3917 | 0.1601 | 0.0691 | 0.045* |
| H21B | 0.3745 | 0.2033 | 0.1341 | 0.045* |
| C22 | 0.3028(2) | 0.31099(16) | 0.00260(9) | 0.0407(5) |
| H22A | 0.3076 | 0.3744 | −0.0113 | 0.049* |
| H22B | 0.3413 | 0.2722 | −0.0272 | 0.049* |
| C23 | 0.1700(2) | 0.19155(14) | 0.02419(9) | 0.0377(4) |
| H23 | 0.2203 | 0.1543 | −0.0024 | 0.045* |
| C24 | 0.0396(2) | 0.15631(14) | 0.01918(9) | 0.0379(4) |
| C25 | −0.0079(2) | 0.11880(17) | −0.03608(11) | 0.0491(5) |
| H25 | 0.0396 | 0.1195 | −0.0704 | 0.059* |
| C26 | −0.1247(2) | 0.08056(18) | −0.04062(12) | 0.0551(6) |
| H26 | −0.1558 | 0.0556 | −0.0778 | 0.066* |
| C27 | −0.1944(2) | 0.07955(15) | 0.00986(12) | 0.0462(5) |
| C28 | −0.1507(2) | 0.11636(17) | 0.06520(12) | 0.0497(5) |
| H28 | −0.1990 | 0.1158 | 0.0992 | 0.060* |
| C29 | −0.0330(2) | 0.15441(16) | 0.06931(10) | 0.0445(5) |
| H29 | −0.0025 | 0.1792 | 0.1066 | 0.053* |
Source of material
An acetonitrile solution (20 mL) of [NiL](ClO4)2 (0.270 g, 0.5 mmol) (L = 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane) was added to a solution of 4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid (0.270 g, 1.0 mmol) and NaOH (0.04 g, 1.0 mmol) in the minimum amount of water. After a few days, blue crystals were separated in ∼32% yield. Anal. Calcd. for C29H52Cl2N4NiO9: C, 47.69; H, 7.17; N, 7.67%. Found: C, 47.25; H, 7.51; N, 7.89%. IR data (cm−1, KBr): 3456(m), 3209(s), 2962(m), 1545(s), 1450(s), 1090(s).
Experimental details
All the hydrogen atoms of the ligands were placed in calculated positions with fixed isotropic thermal parameters and included in the final stage of refinement. The Uiso (H) values of methyl groups were set to 1.5Ueq(C) and the Uiso values of all other hydrogen atoms were set to 1.2Ueq(C, N).
Discussion
Ketal compounds are subjects of great interest because they are usually used as a protection of carbonyl or synthetic intermediates [4], and have been widely applied in fragrance and flavors as well as a new type of spices.
X-ray crystal structural analysis reveals that the title compound contains one complex cation [Ni(C16H36N4)(C13H14O4Cl)]+, one anion [ClO4]−, and one water molecule. Each Ni(II) ion lies on a general position of the monoclinic space group and is coordinated by four macrocyclic nitrogen atoms of L in a folded conformation and two carboxylate oxygen atoms of the anionic 4-(chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato ligand. The Ni-N bond lengths [2.090(6)–2.131(6) Å] are slightly shorter than the Ni-O bond lengths [2.120(4) and 2.261(4) Å]. Neighbouring cations and anions are discrete, connected to each other through hydrogen bonds between the carboxylate oxygen atom of 4-(chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato ligand and water and nitrogen atom of adjacent cation, forming a one-dimensional chain.
Acknowledgements
This work was financially Supported by the NSFC (51772091), the Scientific Research Fund of Hunan Education Department (17A081) and the Science and Technology Innovative plan of Hunan (2017).
References
Bruker: APEX3, SAINT-Plus, XPREP. Bruker AXS Inc., Madison, Wisconsin, USA (2016).Suche in Google Scholar
Sheldrick, G. M.: SHELXT – Integrated space-group and crystal-structure determination. Acta Crystallogr. A71 (2015) 3–8.10.1107/S2053273314026370Suche in Google Scholar PubMed PubMed Central
Sheldrick, G. M.: Crystal structure refinement with SHELXL. Acta Crystallogr. C71 (2015) 3–8.10.1107/S2053229614024218Suche in Google Scholar PubMed PubMed Central
Ono, D.; Yamamura, S.; Nakamura, M.: Preparation and properties of bis(sodium sulfate) types of cleavable surfactants derived from diethyl tartrate. J. Oleo. Sci. 54 (2005) 51–57.10.5650/jos.54.51Suche in Google Scholar
©2018 Fang Liu et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of di-μ2-aqua-tetraaqua-bis(4-(1H-1,2,4-triazol-1-yl)benzoato-κN)disodium(I) C18H24N6Na2O10
- Crystal structure of diaqua-bis(2-bromo-4-chloro-6-formylphenolato-κ2O,O′)cobalt(II), C16H16Cl2CrN3O7
- Crystal structure of catena-poly[(μ2-1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-one-κ2N:O)-bis(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olato-κ2O,O′)copper(II)], C27H18CuF6N2O5S2
- Crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C18H15F2NO5
- Crystal structure of 5,5′-dimethoxy-2,2′-[1,1′-(ethylenedioxydinitrilo)diethylidyne]diphenol, C20H24N2O6
- Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H14Cl2N2O2
- Crystal structure of 2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyanine - trichloromethane (1/2), C98H84Cl6N8O8
- Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5
- Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2O:O′)-(bipyridine-κ2N,N′)copper(II)] C16H16CuN2O4S
- Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5
- Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9
- Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5
- Structure and photochromism of 1,2-bis[2-methyl-5-(3-quinolyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C33H20F6N2S2
- Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50
- The crystal structure of dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-κN)palladium(IV), C25H33Cl2N3OPd
- Crystal structure of catena-poly[bis(4,4′-dipyridylaminium-kN)-(μ2-germanowolframato-κ2O:O′)-(2,2′-bipyridine-κ2N,N′)copper(II)] with a Keggin-type heteropolyoxoanion, [Cu(C10H8N2)(C10H10N3)2][GeW12O40] ⋅ H2O
- Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)pyridin-1-ium-4-carbohydrazonate-κ3N,N′,O)-tris[nitrato-κ2O,O′)lanthanum(III), C12H15N8O12La
- The crystal structure of 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethylbenzoic acid–methanol (1/1), C20H24O8
- Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8
- Crystal structure of (Z)-2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H27BrO2
- Crystal structure of 2-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetic acid, C10H9N3O4
- Crystal structure of 4,4′-(1,4-phenylene)bis(1H-imidazol-3-ium)bis(2-carboxybenzoate), C30H26N4O8
- Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6
- Crystal structure of catena-poly[diaqua-bis(μ2-5-(3-(1H-imidazol-5-yl)phenyl)tetrazol-2-ido-κ2N:N′)cobalt(II)], C20H18CoN12O2
- Crystal structure of 1,3-dimethyl-2-(p-tolyl)-1H-perimidin-3-ium iodide 1.5 hydrate, C20H22IN2O1.5
- Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2
- Crystal structure of poly[(μ2-2-carboxy-5-nitroisophthalato-κ2O:O′)-(μ2-4-((1H-imidazol-1-yl)methyl)pyridine-κ2N:N′)zinc(II)], C18H12N4O8Zn
- Crystal structure of bis(1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)tetraiodidodicadmium(II), [Cd2(C13H15N5)2I4]
- Crystal structure of tetramethylammonium bis(acetato-κ1O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28
- Crystal structure of poly[(μ4-5-tert-butylisophthalato-κ4O:O′:O′′:O′′′)-(1,3-dimethyl-2-imidazolidinone-κO)zinc(II)] C17H22N2O5Zn
- Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ4N,N′,N′′,N′′′]-[(pyridine-2,6-dicarboxylato-κ2O,N)]cadmium(II)–methanol (1:3) C34H36CdN8O7
- The crystal structure of bis(1H-benzo[d]imidazol-2-amine-κN)-diiodidocadmium(II), C14H14CdI2N6
- Crystal structure of tetrakis(1H-benzimidazol-2-amine)-κN)-bis(μ2-sulfonato-κ2O:O′)dizinc(II) - methanol (1/1), C30H36N12O10S2Zn2
- Crystal structure of 3β-methoxy-20α-dimethylamino-pregn-5-ene, C24H41NO
- Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5
- Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-3-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)zinc(II)], C17H16I2N4OZn
- Crystal structure of 4-((E)-((E)-5-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-4-oxopiperidin-3-ylidene)methyl)benzonitrile, C26H18F2N2O3S
- Crystal structure of bis(acetato-κ1O)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2N,N′)zinc(II), C18H22N4O6Zn
- The crystal structure of 9-butoxy-2-(hydroxymethyl)-2H-imidazo[1,5-a]quinolin-10-ium bromide, C17H21O2N2Br
- Crystal stucture of 2-(tert-butyl)-6-(hydroxymethyl)-4-methylphenol, C12H18O2
- Crystal structure of catena-poly[(2-(5-chloroquinolin-8-yloxy)-1-(pyrrolidin-1-yl)ethan-1-one-κ3N,O,O′)-(dinitrato-κ2O,O′)mercury(II)], C15H15N4O8ClHg
- Crystal structure of dimethyl (3aS,6R,6aS,7S)-1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-3a1,6a-dicarboxylate, C16H16O7
- The crystal structure of 2-(dimethoxymethyl)-4-(4-methylphenyl)-1H-imidazole—petroleum ether-chloroform (3/1), C27H33Cl3N4O4
- Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O
- The crystal structure of N,N-diethyl-4,6-bis(naphthalen-2-yloxy)-1,3,5-triazin-2-amine, C27H24N4O2
- Crystal structure of 5-bromo-7-chloro-3,3a-dihydrocyclopenta[b]chromen-1(2H)-one, C12H8BrClO2
- Crystal structure of 2-(bis(4-fluorophenyl)methylene)hydrazine-1-carbothioamide, C14H11F2N3S
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of di-μ2-aqua-tetraaqua-bis(4-(1H-1,2,4-triazol-1-yl)benzoato-κN)disodium(I) C18H24N6Na2O10
- Crystal structure of diaqua-bis(2-bromo-4-chloro-6-formylphenolato-κ2O,O′)cobalt(II), C16H16Cl2CrN3O7
- Crystal structure of catena-poly[(μ2-1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-one-κ2N:O)-bis(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olato-κ2O,O′)copper(II)], C27H18CuF6N2O5S2
- Crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C18H15F2NO5
- Crystal structure of 5,5′-dimethoxy-2,2′-[1,1′-(ethylenedioxydinitrilo)diethylidyne]diphenol, C20H24N2O6
- Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H14Cl2N2O2
- Crystal structure of 2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyanine - trichloromethane (1/2), C98H84Cl6N8O8
- Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5
- Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2O:O′)-(bipyridine-κ2N,N′)copper(II)] C16H16CuN2O4S
- Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5
- Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9
- Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5
- Structure and photochromism of 1,2-bis[2-methyl-5-(3-quinolyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C33H20F6N2S2
- Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50
- The crystal structure of dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-κN)palladium(IV), C25H33Cl2N3OPd
- Crystal structure of catena-poly[bis(4,4′-dipyridylaminium-kN)-(μ2-germanowolframato-κ2O:O′)-(2,2′-bipyridine-κ2N,N′)copper(II)] with a Keggin-type heteropolyoxoanion, [Cu(C10H8N2)(C10H10N3)2][GeW12O40] ⋅ H2O
- Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)pyridin-1-ium-4-carbohydrazonate-κ3N,N′,O)-tris[nitrato-κ2O,O′)lanthanum(III), C12H15N8O12La
- The crystal structure of 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethylbenzoic acid–methanol (1/1), C20H24O8
- Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8
- Crystal structure of (Z)-2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H27BrO2
- Crystal structure of 2-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetic acid, C10H9N3O4
- Crystal structure of 4,4′-(1,4-phenylene)bis(1H-imidazol-3-ium)bis(2-carboxybenzoate), C30H26N4O8
- Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6
- Crystal structure of catena-poly[diaqua-bis(μ2-5-(3-(1H-imidazol-5-yl)phenyl)tetrazol-2-ido-κ2N:N′)cobalt(II)], C20H18CoN12O2
- Crystal structure of 1,3-dimethyl-2-(p-tolyl)-1H-perimidin-3-ium iodide 1.5 hydrate, C20H22IN2O1.5
- Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2
- Crystal structure of poly[(μ2-2-carboxy-5-nitroisophthalato-κ2O:O′)-(μ2-4-((1H-imidazol-1-yl)methyl)pyridine-κ2N:N′)zinc(II)], C18H12N4O8Zn
- Crystal structure of bis(1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)tetraiodidodicadmium(II), [Cd2(C13H15N5)2I4]
- Crystal structure of tetramethylammonium bis(acetato-κ1O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28
- Crystal structure of poly[(μ4-5-tert-butylisophthalato-κ4O:O′:O′′:O′′′)-(1,3-dimethyl-2-imidazolidinone-κO)zinc(II)] C17H22N2O5Zn
- Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ4N,N′,N′′,N′′′]-[(pyridine-2,6-dicarboxylato-κ2O,N)]cadmium(II)–methanol (1:3) C34H36CdN8O7
- The crystal structure of bis(1H-benzo[d]imidazol-2-amine-κN)-diiodidocadmium(II), C14H14CdI2N6
- Crystal structure of tetrakis(1H-benzimidazol-2-amine)-κN)-bis(μ2-sulfonato-κ2O:O′)dizinc(II) - methanol (1/1), C30H36N12O10S2Zn2
- Crystal structure of 3β-methoxy-20α-dimethylamino-pregn-5-ene, C24H41NO
- Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5
- Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-3-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)zinc(II)], C17H16I2N4OZn
- Crystal structure of 4-((E)-((E)-5-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-4-oxopiperidin-3-ylidene)methyl)benzonitrile, C26H18F2N2O3S
- Crystal structure of bis(acetato-κ1O)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2N,N′)zinc(II), C18H22N4O6Zn
- The crystal structure of 9-butoxy-2-(hydroxymethyl)-2H-imidazo[1,5-a]quinolin-10-ium bromide, C17H21O2N2Br
- Crystal stucture of 2-(tert-butyl)-6-(hydroxymethyl)-4-methylphenol, C12H18O2
- Crystal structure of catena-poly[(2-(5-chloroquinolin-8-yloxy)-1-(pyrrolidin-1-yl)ethan-1-one-κ3N,O,O′)-(dinitrato-κ2O,O′)mercury(II)], C15H15N4O8ClHg
- Crystal structure of dimethyl (3aS,6R,6aS,7S)-1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-3a1,6a-dicarboxylate, C16H16O7
- The crystal structure of 2-(dimethoxymethyl)-4-(4-methylphenyl)-1H-imidazole—petroleum ether-chloroform (3/1), C27H33Cl3N4O4
- Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O
- The crystal structure of N,N-diethyl-4,6-bis(naphthalen-2-yloxy)-1,3,5-triazin-2-amine, C27H24N4O2
- Crystal structure of 5-bromo-7-chloro-3,3a-dihydrocyclopenta[b]chromen-1(2H)-one, C12H8BrClO2
- Crystal structure of 2-(bis(4-fluorophenyl)methylene)hydrazine-1-carbothioamide, C14H11F2N3S