Abstract
C13H7BrN3O6Re, monoclinic, P21/n (no. 14), a = 7.2645(1) Å, b = 10.0607(1) Å, c = 20.7717(2) Å, β = 97.1800(10)°, V = 1506.22(3) Å3, Z = 4, R gt(F) = 0.0359, wR ref(F 2) = 0.0810, T = 150 K.
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.

Shows the molecular structure of C13H7BrN3O6Re. Hydrogen atoms were omitted for clarity.
Data collection and handling.
Crystal: | Yellow cuboid |
Size: | 0.35 × 0.18 × 0.16 mm |
Wavelength: | Cu Kα radiation (1.54184 Å) |
μ: | 19.3 mm−1 |
Diffractometer, scan mode: | XtaLAB Synergy R, ω |
θ max, completeness: | 79.0°, >99 % |
N(hkl)measured, N(hkl)unique, R int: | 31772, 3207, 0.054 |
Criterion for I obs, N(hkl)gt: | I obs > 2σ(I obs), 3171 |
N(param)refined: | 217 |
Programs: | CrysAlis PRO [1], Olex2 [2], WinGX [3], Shelx [4, 5] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | U iso*/U eq |
---|---|---|---|---|
Br | 0.43740 (13) | 0.42345 (8) | 0.23869 (4) | 0.0422 (2) |
C1 | 0.9142 (9) | 0.2668 (6) | 0.3426 (3) | 0.0250 (13) |
C2 | 0.5909 (11) | 0.1549 (7) | 0.2933 (4) | 0.0335 (15) |
C3 | 0.7723 (9) | 0.0558 (6) | 0.3957 (3) | 0.0281 (14) |
C4 | 0.5092 (9) | 0.5121 (7) | 0.3178 (3) | 0.0250 (13) |
C5 | 0.4639 (9) | 0.6462 (7) | 0.3174 (3) | 0.0278 (14) |
H5 | 0.397156 | 0.686662 | 0.280209 | 0.033* |
C6 | 0.5191 (10) | 0.7184 (7) | 0.3726 (4) | 0.0302 (15) |
H6 | 0.494111 | 0.810959 | 0.373956 | 0.036* |
C7 | 0.6114 (9) | 0.6547 (6) | 0.4265 (3) | 0.0253 (13) |
H7 | 0.650459 | 0.703263 | 0.464980 | 0.030* |
C8 | 0.6464 (8) | 0.5190 (6) | 0.4235 (3) | 0.0201 (12) |
C9 | 0.7411 (8) | 0.4480 (6) | 0.4797 (3) | 0.0177 (11) |
C10 | 0.7921 (8) | 0.5097 (6) | 0.5399 (3) | 0.0224 (12) |
H10 | 0.766977 | 0.601191 | 0.545959 | 0.027* |
C11 | 0.8796 (8) | 0.4341 (6) | 0.5901 (3) | 0.0228 (12) |
H11 | 0.915376 | 0.473716 | 0.631276 | 0.027* |
C12 | 0.9153 (9) | 0.3022 (7) | 0.5809 (3) | 0.0253 (13) |
H12 | 0.975079 | 0.249559 | 0.615314 | 0.030* |
C13 | 0.8622 (8) | 0.2471 (6) | 0.5200 (3) | 0.0220 (12) |
H13 | 0.887517 | 0.155860 | 0.513203 | 0.026* |
N1 | 0.5976 (7) | 0.4461 (5) | 0.3681 (2) | 0.0201 (10) |
N2 | 0.7766 (7) | 0.3182 (5) | 0.4707 (2) | 0.0175 (10) |
N3 | 0.3340 (8) | 0.1199 (6) | 0.4218 (3) | 0.0287 (12) |
O1 | 1.0532 (7) | 0.2873 (5) | 0.3235 (3) | 0.0363 (12) |
O2 | 0.5439 (9) | 0.1010 (6) | 0.2457 (3) | 0.0506 (16) |
O3 | 0.8263 (7) | −0.0483 (5) | 0.4069 (3) | 0.0371 (12) |
O4 | 0.4323 (6) | 0.2199 (4) | 0.4206 (2) | 0.0253 (9) |
O5 | 0.3642 (8) | 0.0158 (6) | 0.3934 (3) | 0.0523 (16) |
O6 | 0.1981 (8) | 0.1273 (6) | 0.4536 (3) | 0.0511 (15) |
Re | 0.68498 (4) | 0.23286 (2) | 0.37591 (2) | 0.01883 (9) |
1 Source of materials
The starting complex was synthesized according to a published procedure [6]. [NEt4]2[Re(CO)3(Br)3] (995 mg; 1.3 mmol) was dissolved in 5 mL of water (pH 2.2) by stirring for 10 min at room temperature. Silver nitrate (661 mg; 3.9 mmol) was added to the solution and stirred for 24 h at room temperature. The dark-grey silver bromide (130 mg; 6.9 mmol) that precipitated was filtered off. 6-Bromo-2,2-bipyridine (308 mg; 1.3 mmol), was added to the filtrate and stirred for 36 h at room temperature. The yellow precipitate was filtered and dried. Although fac-[Re(CO)3(Brbpy)(H2O)] structure was expected from the filtrate, crystals of fac-[Re(CO)3(Brbpy)(NO3)] were obtained, which could be due to the presence of excess nitrate ions from the silver nitrate salt and nitric acid (HNO3, used for preparation of pH 2.2 water). Crystals suitable for the collection with X-ray diffraction formed. Yield = 563 mg, 83 %, IR (FTIR cm −1 ): v co = 2024, 1921·[DFM1] 1 H NMR (400 MHz, DMSO-d 6 ): δ (ppm) δ 9.16–9.15 (m, 1H), 8.76 (d, J = 1.0 Hz, 1H), 8.72–8.71 (m, 1H), 8.39 (d, 1H), 7.99 (d, J = 1.8 Hz, 1H), 7.87–7.84 (m, 1H), 7.52–7.49 (m, 1H). 13 C NMR (100 MHz, DMSO-d 6 ): δ (ppm) 157.97, 157.09, 156.44, 153.84, 150.02, 143.50, 141.93, 141.20, 138.11, 132.96, 128.87, 125.34, 120.28.
2 Experimental details
All hydrogen atoms were geometrically positioned and discernibly refined using a riding model, with fixed C–HAromatic = 0.95 Å. The isotropic displacement parameters of the H atoms were fixed; U iso(H) = 1.2U eq(C) for aromatic, allowing them to ride on the parent atom. The images were created using the MERCURY program with 50 % probability ellipsoids. For clarity, all of the H-atoms on the title structure were removed.
3 Comment
For many years, organometallic complexes have been the focus of significant research as non-invasive imaging contrast agents [7], [8], [9], [10]. Rhenium(I) complexes with a fac-[M(CO)3(N,N′)(L)] n (where M = Re, N,N′ = N,N′-bidentate or α-diimine ligand, L = monodentate ligand, and n = 0 charge) moiety have received widespread attention in the scientific community since their initial investigation by Wrighton and Morse (1974) [11]. Interestingly, luminous Re(I) tricarbonyl complexes coupled with α-diimine ligands have received continued interest due to their photophysical and photochemical features, which are applicable for cancer cell bioimaging [7, 8, 12]. Due to their biological stability, low toxicity, high Stokes shifts, and extended luminescence lifetimes, the octahedral d 6 and low-spin Re(I) tricarbonyl complexes have found use in many aspects in vivo [6, 13], [14], [15], [16], [17], [18]. This work focuses on the crystallographic study of the coordination chemistry of the molecular structure of N,N′-bidentate ligand [6-bromo-2,2′-bipyridine (Brbpy)] in the equatorial plane, which is trans to two carbonyls (CO) ligands and an O-coordinated monodentate ligand [nitrate (NO3)] in the axial position. This was achieved by utilizing the [2 + 1] approach in the interest of the chemistry of Re(I) and its analogue, Tc(I), tricarbonyl complexes, aimed at the continuous application of cancer theranostics. The technique entails the replacement of two labile water molecules in the equatorial plane, followed by the axial coordination of the monodentate aqua ligand.
In this investigation, the title complex shows a slightly distorted octahedron, which comprises three facially arranged carbonyl ligands, one bidentate bpy-based ligand, as well as a monodentate nitrato ligand. Its molecular structure is shown in the Figure, in which the hydrogen atoms were removed for clarity. The distortion from ideal octahedral geometry is most noticeable in the bond angles C1–Re–C3 at 87.9(3)°, C1–Re–C2 at 88.8(3)°, and N2–Re–C1 at 94.3(2)°. The bond lengths between rhenium and the three carbons of the carbonyl ligands ranging between 1.912(7) and 1.932(6) Å, whereas the bond distances between Re–O4, Re–N1, and Re–N2 are 2.162(4), 2.237(5), and 2.175(4) Å, respectively. The acquired results are consistent with other structures previously published by Domínguez et al. [9], Ramoba et al. [19], and Moremi et al. [20]. The small bite angle of the title structure was determined to be 74.87(17)° for N1–Re–N2, which is just the same as that reported by Dominguez et al. (74.67(19)°) of a comparable structure [9]. Moreover, the crystal structure is at least stabilized by six intermolecular (six C–H⋯O) hydrogen bonding interactions. Complexes pack in a head-to-head fashion and are held together by intra- and intermolecular hydrogen bonds [21], [22], [23].
Acknowledgements
We would like to thank the National Research Foundation of South Africa (Grant No. 123499), Tshwane University of Technology, and the University of Pretoria for institutional and financial support.
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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: NRF (scholarship specific number 123499).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2023 the author(s), published by De Gruyter, Berlin/Boston
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Artikel in diesem Heft
- Frontmatter
- New Crystal Structures
- Crystal structure of a polymorph of potassium picrate, C6H2KN3O7
- The crystal structure of (1E,2E)-1,2-bis(quinolin-2-ylmethylene)hydrazine, C20H14N4
- 5-Amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide, C11H15O3ClFN3S
- Crystal structure of trans-N 1,N 8-bis(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H42N6
- The crystal structure of [N-{[2-(oxy)-4-methoxyphenyl](phenyl)methylidene}alaninato]-diphenyl-silicon(IV) – chloroform (1/1), C29H25NO4Si·CHCl3
- Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2
- Crystal structure of baryte from Mine du Pradet (France)
- The crystal structure of [(2,2′-bipyridine-6-carboxylato-κ3 N,N,O)-(6-phenylpyridine-2-carboxylate-κ2 N,O)copper(II)] monohydrate, C23H17N3O5Cu
- Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2
- The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn
- Crystal structure of catena-poly[tetrakis(butyl)-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O:O,O′,N-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O,N,O′:N′-ditin(IV)], C34H50N6O6Sn2
- Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3
- The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6
- The crystal structure of (Z)-4-amino-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H17N3O
- The co-crystal structure of etoricoxib–phthalic acid (1/1), C18H15ClN2O2S·C8H6O4
- Crystal structure of (glycinto-κ 2 O,N ′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N ′,N ″,N ‴]nickel(II) perchlorate monohydrate C18H42ClN5NiO7
- The crystal structure of catena-poly[bis(1-ethylimidazole-k1 N)-(μ 2-benzene-1-carboxyl-3,5-dicarboxylato-κ 2 O, O′)zinc(II)], C19H20N4O6Zn
- Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S
- Rietveld structure analysis of keatite, a rare, metastable SiO2 polymorph
- Crystal structure of catena-poly[(μ2-isophthalato-k3 O,O′:O″)(4-(4-pyridyl)-2,5-dipyrazylpyridine-k3 N,N′,N″)cobalt(II)] trihydrate C26H22N6O7Co1
- Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7
- The crystal structure of fac-tricarbonyl(6-bromo-2,2-bipyridine-κ2 N,N)-(nitrato-κO)rhenium(I), C13H7BrN3O6Re
- The crystal structure of (E)-N′-(4-hydroxy-3-methoxybenzylidene)-2-naphthohydrazide monohydrate, C19H18N2O4
- The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2
- The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe
- Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4
- Crystal structure of poly[(μ3-2-(3,5-dicarboxyphenyl) benzimidazole-6-carboxylato-κ4O:O:O′:O″)lead(II)] monohydrate, C16H10N2O7Pb
- The crystal structure of fac-tricarbonyl(2-pyridin-2-yl-quinoline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C20H14N4O3ReNO3
- Crystal structure of dibromo-dicarbonyl-bis(tricyclohexylphosphine)-osmium(II) dichloromethane solvate, C38H66Br2O2OsP2
- Crystal structure of poly[bis(μ 2-2,6-bis(1-imidazoly)pyridine-κ 2 N:N′)copper(II)] diperchlorate dihydrate, C22H22Cl2CuN10O10
- The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS
- Crystal structure of (E)-7-fluoro-2-(4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O
- Synthesis and crystal structure of 1-((3R,10S,13S, 17S)-3-((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO2
- The crystal structure of fac-tricarbonyl((pyridin-2-yl)methanamino-κ2 N,N′)-((pyridin-2-yl)methanamino-κN)rhenium(I) nitrate, C15H16O3N4Re
- The crystal structure of (1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-((1-(4-vinylbenzyl)-1H-benzo[d]imidazol-2-yl)methyl)methanamine-κ 4 N,N′,N″,N‴)tris(nitrato-kO,O′)-erbium(III), C29H27ErN8O9
- Crystal structure of tetracene-5,12-dione, C18H10O2
- Crystal structure of (3R,3aS,6R,6aR)-6-hexyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione, C13H20O4
- The crystal structure of N′1,N′3-bis((E)-thiophen-2-ylmethylene)isophthalohydrazide monohydrate, C18H16N4O3S2
- Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S
- Crystal structure of (E)-3-(3-methoxybenzylidene)benzofuran-2(3H)-one, C16H12O3
- Synthesis and crystal structure (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C11H12BrNO2
- Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5
- The crystal structure of N,N′-(1,2-phenylene)bis (2-((2-oxopropyl)selanyl)benzamide), C26H24N2O4Se2
- The crystal structure of 1-ethyl-2-nitro-imidazole oxide, C5H7N3O3
- The crystal structure of 2-(2-fluorophenyl)naphtho[2,1-d]thiazole, C17H10FNS
- Crystal structure of (E)-2,4-di-tert-butyl-6-(((2-fluorophenyl)imino) methyl)phenol, C21H26FNO
- Synthesis and crystal structure of 3-methyl-2-(methylthio)-4H-chromen-4-one, C12H12O2S
- Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4
- The crystal structure of dimethyl 2,2ʹ-((adamantane-1,3-diylbis(4,1-phenylene)) bis(oxy))diacetate, C28H32O6
- The crystal structure of N-(6-chloro-2-methyl-2H-indazol-5-yl)acetamide, C10H10ClN3O
- Crystal structure of triaqua-(5-bromoisophthalato-κ1 O)-(2,2′-bipyridine-κ2 N:N′)nickel(II) hydrate, C18H19BrN2NiO8
- The crystal structure of 2-amino-4-carboxypyridin-1-ium perchlorate, C6H7ClN2O6
- The crystal structure of catena-poly[5-aminonicotinic acid-k1 N-m2-bromido-copper(I)], Cu(C6N2H6O2)Br
- The crystal structure of 2,2-bis(3-methoxyphenyl)-1-tosyl-1,2-dihydro- 2λ4,3λ4 -[1,3,2]diazaborolo[4,5,1-ij]quinoline - dichloromethane (1/1)
- The crystal structure of catena-poly[bis(6-phenylpyridine-2-carboxylato-κ2 N,O)-(μ2-4,4′-bipyridne-κ2 N:N)cadmium(II)], C34H24N4O4Cd
- The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5
- Crystal structure of rac-1,8-bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H46N6O2
- The crystal structure of (E)-N ′-(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2
- The crystal structure of 5-nitronaphthoquinone, C10H5NO4
- The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O
- Synthesis and crystal structure of 2-(2-oxo-2-(o-tolyl)ethyl)-4H-chromen-4-one, C18H14O3
- Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S
- Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5
- Crystal structure of poly[(μ3-3, 5-dichloro-2-hydroxy-benzoato-κ4 Cl,O:O′:O″) silver(I)], C7H3AgCl2O3
- The crystal structure of tetrakis(1-isopropylimidazole-κ1 N)-[μ2- imidazole-4,5-dicarboxylato-κ4 O,N,O′,N′)]- trioxido-divanadium, C29H41N10O7V2
- Crystal structure of catena-[(μ3-bromido)-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N)copper(I)], C9H7BrCuN3O2
- The crystal structure of (E)-4-fluoro-N′-(1-(2-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2
Artikel in diesem Heft
- Frontmatter
- New Crystal Structures
- Crystal structure of a polymorph of potassium picrate, C6H2KN3O7
- The crystal structure of (1E,2E)-1,2-bis(quinolin-2-ylmethylene)hydrazine, C20H14N4
- 5-Amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide, C11H15O3ClFN3S
- Crystal structure of trans-N 1,N 8-bis(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H42N6
- The crystal structure of [N-{[2-(oxy)-4-methoxyphenyl](phenyl)methylidene}alaninato]-diphenyl-silicon(IV) – chloroform (1/1), C29H25NO4Si·CHCl3
- Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2
- Crystal structure of baryte from Mine du Pradet (France)
- The crystal structure of [(2,2′-bipyridine-6-carboxylato-κ3 N,N,O)-(6-phenylpyridine-2-carboxylate-κ2 N,O)copper(II)] monohydrate, C23H17N3O5Cu
- Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2
- The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn
- Crystal structure of catena-poly[tetrakis(butyl)-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O:O,O′,N-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O,N,O′:N′-ditin(IV)], C34H50N6O6Sn2
- Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3
- The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6
- The crystal structure of (Z)-4-amino-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H17N3O
- The co-crystal structure of etoricoxib–phthalic acid (1/1), C18H15ClN2O2S·C8H6O4
- Crystal structure of (glycinto-κ 2 O,N ′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N ′,N ″,N ‴]nickel(II) perchlorate monohydrate C18H42ClN5NiO7
- The crystal structure of catena-poly[bis(1-ethylimidazole-k1 N)-(μ 2-benzene-1-carboxyl-3,5-dicarboxylato-κ 2 O, O′)zinc(II)], C19H20N4O6Zn
- Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S
- Rietveld structure analysis of keatite, a rare, metastable SiO2 polymorph
- Crystal structure of catena-poly[(μ2-isophthalato-k3 O,O′:O″)(4-(4-pyridyl)-2,5-dipyrazylpyridine-k3 N,N′,N″)cobalt(II)] trihydrate C26H22N6O7Co1
- Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7
- The crystal structure of fac-tricarbonyl(6-bromo-2,2-bipyridine-κ2 N,N)-(nitrato-κO)rhenium(I), C13H7BrN3O6Re
- The crystal structure of (E)-N′-(4-hydroxy-3-methoxybenzylidene)-2-naphthohydrazide monohydrate, C19H18N2O4
- The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2
- The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe
- Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4
- Crystal structure of poly[(μ3-2-(3,5-dicarboxyphenyl) benzimidazole-6-carboxylato-κ4O:O:O′:O″)lead(II)] monohydrate, C16H10N2O7Pb
- The crystal structure of fac-tricarbonyl(2-pyridin-2-yl-quinoline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C20H14N4O3ReNO3
- Crystal structure of dibromo-dicarbonyl-bis(tricyclohexylphosphine)-osmium(II) dichloromethane solvate, C38H66Br2O2OsP2
- Crystal structure of poly[bis(μ 2-2,6-bis(1-imidazoly)pyridine-κ 2 N:N′)copper(II)] diperchlorate dihydrate, C22H22Cl2CuN10O10
- The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS
- Crystal structure of (E)-7-fluoro-2-(4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O
- Synthesis and crystal structure of 1-((3R,10S,13S, 17S)-3-((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO2
- The crystal structure of fac-tricarbonyl((pyridin-2-yl)methanamino-κ2 N,N′)-((pyridin-2-yl)methanamino-κN)rhenium(I) nitrate, C15H16O3N4Re
- The crystal structure of (1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-((1-(4-vinylbenzyl)-1H-benzo[d]imidazol-2-yl)methyl)methanamine-κ 4 N,N′,N″,N‴)tris(nitrato-kO,O′)-erbium(III), C29H27ErN8O9
- Crystal structure of tetracene-5,12-dione, C18H10O2
- Crystal structure of (3R,3aS,6R,6aR)-6-hexyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione, C13H20O4
- The crystal structure of N′1,N′3-bis((E)-thiophen-2-ylmethylene)isophthalohydrazide monohydrate, C18H16N4O3S2
- Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S
- Crystal structure of (E)-3-(3-methoxybenzylidene)benzofuran-2(3H)-one, C16H12O3
- Synthesis and crystal structure (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C11H12BrNO2
- Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5
- The crystal structure of N,N′-(1,2-phenylene)bis (2-((2-oxopropyl)selanyl)benzamide), C26H24N2O4Se2
- The crystal structure of 1-ethyl-2-nitro-imidazole oxide, C5H7N3O3
- The crystal structure of 2-(2-fluorophenyl)naphtho[2,1-d]thiazole, C17H10FNS
- Crystal structure of (E)-2,4-di-tert-butyl-6-(((2-fluorophenyl)imino) methyl)phenol, C21H26FNO
- Synthesis and crystal structure of 3-methyl-2-(methylthio)-4H-chromen-4-one, C12H12O2S
- Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4
- The crystal structure of dimethyl 2,2ʹ-((adamantane-1,3-diylbis(4,1-phenylene)) bis(oxy))diacetate, C28H32O6
- The crystal structure of N-(6-chloro-2-methyl-2H-indazol-5-yl)acetamide, C10H10ClN3O
- Crystal structure of triaqua-(5-bromoisophthalato-κ1 O)-(2,2′-bipyridine-κ2 N:N′)nickel(II) hydrate, C18H19BrN2NiO8
- The crystal structure of 2-amino-4-carboxypyridin-1-ium perchlorate, C6H7ClN2O6
- The crystal structure of catena-poly[5-aminonicotinic acid-k1 N-m2-bromido-copper(I)], Cu(C6N2H6O2)Br
- The crystal structure of 2,2-bis(3-methoxyphenyl)-1-tosyl-1,2-dihydro- 2λ4,3λ4 -[1,3,2]diazaborolo[4,5,1-ij]quinoline - dichloromethane (1/1)
- The crystal structure of catena-poly[bis(6-phenylpyridine-2-carboxylato-κ2 N,O)-(μ2-4,4′-bipyridne-κ2 N:N)cadmium(II)], C34H24N4O4Cd
- The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5
- Crystal structure of rac-1,8-bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H46N6O2
- The crystal structure of (E)-N ′-(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2
- The crystal structure of 5-nitronaphthoquinone, C10H5NO4
- The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O
- Synthesis and crystal structure of 2-(2-oxo-2-(o-tolyl)ethyl)-4H-chromen-4-one, C18H14O3
- Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S
- Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5
- Crystal structure of poly[(μ3-3, 5-dichloro-2-hydroxy-benzoato-κ4 Cl,O:O′:O″) silver(I)], C7H3AgCl2O3
- The crystal structure of tetrakis(1-isopropylimidazole-κ1 N)-[μ2- imidazole-4,5-dicarboxylato-κ4 O,N,O′,N′)]- trioxido-divanadium, C29H41N10O7V2
- Crystal structure of catena-[(μ3-bromido)-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N)copper(I)], C9H7BrCuN3O2
- The crystal structure of (E)-4-fluoro-N′-(1-(2-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2