Abstract
C24H34N6Cl2Zn, monoclinic, P21/c (no. 14), a = 9.513(3) Å, b = 9.546(3) Å, c = 30.956(10) Å, β = 101.228(9)°, V = 2757.3(15) Å3, Z = 4, Rgt(F) = 0.0452, wRref(F2) = 0.1299, T = 293 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.

Data collection and handling.
Crystal: | Colorless block |
Size: | 0.30 × 0.29 × 0.25 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 1.11 mm−1 |
Diffractometer, scan mode: | Enraf-Nonius CAD-4, ω |
θmax, completeness: | 28.5°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 17,642, 6715, 0.026 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 4725 |
N(param)refined: | 357 |
Programs: | CAD-4 [1], [2], Olex2 [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
Zn1 | 0.18393 (3) | −0.79303 (3) | −0.124785 (10) | 0.04692 (12) |
Cl1 | 0.24479 (9) | −0.86321 (8) | −0.18697 (2) | 0.0629 (2) |
Cl2 | 0.28309 (7) | −0.90830 (8) | −0.06427 (2) | 0.0596 (2) |
N1 | 0.2951 (3) | −0.3880 (3) | −0.09031 (9) | 0.0657 (7) |
N2 | 0.2874 (3) | −0.5250 (3) | −0.08325 (8) | 0.0636 (6) |
N3 | 0.2281 (3) | −0.5840 (2) | −0.12055 (7) | 0.0528 (5) |
N4 | −0.2532 (3) | −0.7642 (3) | −0.16008 (9) | 0.0716 (7) |
N5 | −0.1187 (3) | −0.7555 (3) | −0.16595 (8) | 0.0668 (7) |
N6 | −0.0339 (2) | −0.7918 (3) | −0.12902 (8) | 0.0542 (6) |
C1a | −0.322 (2) | −0.0895 (15) | −0.1882 (5) | 0.166 (8) |
H1aa | −0.360 (12) | −0.045 (5) | −0.2158 (5) | 0.249 (11)* |
H1ba | −0.398 (9) | −0.0995 (17) | −0.172 (3) | 0.249 (11)* |
H1ca | −0.247 (3) | −0.033 (4) | −0.172 (3) | 0.249 (11)* |
C25a | −0.2634 (17) | −0.2343 (13) | −0.1964 (6) | 0.152 (7) |
H25aa | −0.2462 (17) | −0.2436 (13) | −0.2262 (6) | 0.182 (9)* |
H25ba | −0.1767 (17) | −0.2565 (13) | −0.1754 (6) | 0.182 (9)* |
C3 | −0.3914 (7) | −0.3225 (7) | −0.1891 (2) | 0.138 (2) |
H3aaa | −0.4106 (7) | −0.3107 (7) | −0.1597 (2) | 0.165 (2)* |
H3aba | −0.4774 (7) | −0.3022 (7) | −0.2107 (2) | 0.165 (2)* |
H3bcb | −0.515 (15) | −0.324 (13) | −0.208 (4) | 0.207 (3)* |
H3bdb | −0.399 (14) | −0.388 (14) | −0.155 (5) | 0.207 (3)* |
C4 | −0.3315 (6) | −0.4672 (6) | −0.19573 (17) | 0.1329 (19) |
H4a | −0.3138 (6) | −0.4744 (6) | −0.22547 (17) | 0.160 (2)* |
H4b | −0.2407 (6) | −0.4793 (6) | −0.17547 (17) | 0.160 (2)* |
C26 | −0.4320 (4) | −0.5801 (6) | −0.18827 (16) | 0.1165 (15) |
H26a | −0.4485 (4) | −0.5737 (6) | −0.15838 (16) | 0.1398 (18)* |
H26b | −0.5232 (4) | −0.5670 (6) | −0.20821 (16) | 0.1398 (18)* |
C6 | −0.3731 (4) | −0.7267 (5) | −0.19563 (13) | 0.1008 (13) |
H6a | −0.3411 (4) | −0.7283 (5) | −0.22353 (13) | 0.1210 (15)* |
H6b | −0.4489 (4) | −0.7955 (5) | −0.19704 (13) | 0.1210 (15)* |
C7c | 0.9799 (12) | −0.3779 (14) | −0.0588 (4) | 0.210 (4) |
H7ac | 0.981 (5) | −0.372 (11) | −0.0897 (4) | 0.315 (7)* |
H7bc | 0.990 (6) | −0.286 (5) | −0.046 (3) | 0.315 (7)* |
H7cc | 1.0577 (14) | −0.436 (6) | −0.044 (3) | 0.315 (7)* |
C8c | 0.8362 (11) | −0.4423 (12) | −0.0524 (5) | 0.204 (4) |
H8ac | 0.7936 (11) | −0.5016 (12) | −0.0770 (5) | 0.245 (5)* |
H8bc | 0.8461 (11) | −0.4944 (12) | −0.0251 (5) | 0.245 (5)* |
C9d | 0.7524 (9) | −0.3060 (13) | −0.0512 (5) | 0.164 (3) |
H9ad | 0.7931 (9) | −0.2483 (13) | −0.0260 (5) | 0.197 (4)* |
H9bd | 0.7457 (9) | −0.2522 (13) | −0.0781 (5) | 0.197 (4)* |
C10 | 0.6058 (6) | −0.3695 (7) | −0.0466 (2) | 0.1427 (19) |
H10ad | 0.5772 (6) | −0.4428 (7) | −0.0682 (2) | 0.171 (2)* |
H10bd | 0.6104 (6) | −0.4082 (7) | −0.0174 (2) | 0.171 (2)* |
H10ce | 0.5701 (6) | −0.4270 (7) | −0.0252 (2) | 0.171 (2)* |
H10de | 0.5858 (6) | −0.4220 (7) | −0.0739 (2) | 0.171 (2)* |
C11 | 0.5039 (5) | −0.2498 (5) | −0.05448 (16) | 0.1127 (16) |
H11a | 0.5331 (5) | −0.1793 (5) | −0.03196 (16) | 0.1353 (19)* |
H11b | 0.5075 (5) | −0.2078 (5) | −0.08278 (16) | 0.1353 (19)* |
C12 | 0.3537 (5) | −0.2936 (4) | −0.05397 (13) | 0.0834 (11) |
H12a | 0.2936 (5) | −0.2108 (4) | −0.05572 (13) | 0.1001 (13)* |
H12b | 0.3512 (5) | −0.3400 (4) | −0.02626 (13) | 0.1001 (13)* |
C13 | 0.2416 (3) | −0.3563 (3) | −0.13316 (10) | 0.0597 (7) |
C14 | 0.2240 (4) | −0.2302 (3) | −0.15645 (13) | 0.0777 (10) |
H14 | 0.2529 (4) | −0.1445 (3) | −0.14333 (13) | 0.0933 (12)* |
C15 | 0.1616 (5) | −0.2417 (4) | −0.19967 (14) | 0.0872 (11) |
H15 | 0.1492 (5) | −0.1608 (4) | −0.21675 (14) | 0.1047 (14)* |
C16 | 0.1155 (5) | −0.3687 (4) | −0.21967 (12) | 0.0856 (11) |
H16 | 0.0721 (5) | −0.3694 (4) | −0.24931 (12) | 0.1027 (13)* |
C17 | 0.1321 (4) | −0.4925 (4) | −0.19691 (11) | 0.0692 (8) |
H17 | 0.1018 (4) | −0.5775 (4) | −0.21020 (11) | 0.0831 (10)* |
C18 | 0.1978 (3) | −0.4832 (3) | −0.15237 (9) | 0.0548 (7) |
C19 | −0.1161 (3) | −0.8232 (3) | −0.09854 (9) | 0.0547 (7) |
C20 | −0.0794 (3) | −0.8669 (4) | −0.05470 (10) | 0.0653 (8) |
H20 | 0.0155 (3) | −0.8789 (4) | −0.04070 (10) | 0.0784 (10)* |
C21 | −0.1903 (4) | −0.8911 (4) | −0.03345 (12) | 0.0797 (10) |
H21 | −0.1700 (4) | −0.9196 (4) | −0.00417 (12) | 0.0956 (12)* |
C22 | −0.3332 (4) | −0.8742 (4) | −0.05441 (13) | 0.0832 (11) |
H22 | −0.4048 (4) | −0.8933 (4) | −0.03866 (13) | 0.0999 (13)* |
C23 | −0.3713 (3) | −0.8313 (4) | −0.09642 (13) | 0.0782 (10) |
H23 | −0.4667 (3) | −0.8192 (4) | −0.11002 (13) | 0.0938 (12)* |
C24 | −0.2582 (3) | −0.8061 (4) | −0.11849 (10) | 0.0625 (8) |
C2ab | −0.187 (2) | −0.154 (2) | −0.1770 (6) | 0.206 (8) |
H2aab | −0.183 (6) | −0.159 (16) | −0.1457 (6) | 0.309 (13)* |
H2abb | −0.117 (2) | −0.216 (11) | −0.185 (4) | 0.309 (13)* |
H2acb | −0.169 (7) | −0.060 (6) | −0.185 (4) | 0.309 (13)* |
C1ab | −0.320 (3) | −0.195 (2) | −0.1983 (9) | 0.200 (9) |
H1aab | −0.316 (3) | −0.197 (2) | −0.2293 (9) | 0.240 (10)* |
H1abb | −0.384 (3) | −0.118 (2) | −0.1947 (9) | 0.240 (10)* |
C8af | 0.883 (4) | −0.316 (3) | −0.0513 (11) | 0.152 (7) |
H8aaf | 0.964 (4) | −0.286 (3) | −0.0290 (11) | 0.182 (8)* |
H8abf | 0.851 (4) | −0.239 (3) | −0.0716 (11) | 0.182 (8)* |
C7af | 0.915 (4) | −0.463 (3) | −0.0766 (10) | 0.150 (7) |
H7aaf | 0.835 (11) | −0.483 (13) | −0.100 (5) | 0.226 (11)* |
H7abf | 1.000 (14) | −0.453 (9) | −0.089 (7) | 0.226 (11)* |
H7acf | 0.93 (2) | −0.539 (6) | −0.0559 (19) | 0.226 (11)* |
C9ae | 0.767 (4) | −0.377 (5) | −0.0325 (13) | 0.145 (5) |
H9aae | 0.785 (4) | −0.345 (5) | −0.0021 (13) | 0.173 (6)* |
H9abe | 0.787 (4) | −0.477 (5) | −0.0310 (13) | 0.173 (6)* |
aOccupancy: 0.483 (17),
bOccupancy: 0.517 (17),
cOccupancy: 0.761 (13),
dOccupancy: 0.786 (18),
eOccupancy: 0.214 (18),
fOccupancy: 0.239 (13)
Source of material
1-Hexyl-1H benzotriazole (2.03 g, 0.01 mol) and zinc chloride (0.6815 g, 0.005 mol) were added into 30 ml ethanol and refluxed for 2 h, and then evaporated to obtain a white solid. Then, it was recrystallized from acetonitrile to obtain colorless transparent crystal.
Experimental details
Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.
Comment
Ionic liquids have shown good application prospects in organic synthesis [4], organic catalysis [5], solar cell preparation [6], electrochemistry [7], analytical chemistry [8], preparation of functional materials [9] and so on. More and more attention has been paid to the application of n-dialkylbenzimidazolium ionic liquids in catalytic systems. As we know, the reports about ionic liquids of benzimidazole salt are rare. As a result, we focused on the benzimidazole salts and synthesized a new benzimidazole ionic liquid.
The molecular structure of the title compound is shown in the figure. Bond lengths and angles are within normal ranges [10]. The angle between two benzimidazole ligands is 101.05(9)°.
Funding source: Henan University of Science and Technology
Award Identifier / Grant number: 135100001
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: Henan University of Science and Technology Distinguished Professor Open Fund (Grant No. 135100001).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
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© 2020 Xiao-jing Liu et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
Artikel in diesem Heft
- Frontmatter
- New Crystal Structures
- The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
- The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
- The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
- Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
- Redetermination of the crystal structure of para-toluidine, C7H9N
- The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
- The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
- Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
- The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
- Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
- The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
- Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
- Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
- Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
- The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
- The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
- Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
- The crystal structure of methacholine chloride, C8H18ClNO2
- Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
- Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
- Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
- Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
- Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
- Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
- Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
- Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
- Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
- Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
- Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
- Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
- Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
- Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
- The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
- Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
- Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
- The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
- The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
- The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
- Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
- Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
- The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
- The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
- Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
- The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
- The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
- The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
- The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
- The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
- The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
- Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
- Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
- Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
- Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
- Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
- Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
- The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
- The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
- The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
- The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
Artikel in diesem Heft
- Frontmatter
- New Crystal Structures
- The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
- The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
- The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
- Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
- Redetermination of the crystal structure of para-toluidine, C7H9N
- The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
- The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
- Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
- The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
- Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
- The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
- Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
- Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
- Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
- The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
- The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
- Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
- The crystal structure of methacholine chloride, C8H18ClNO2
- Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
- Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
- Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
- Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
- Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
- Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
- Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
- Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
- Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
- Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
- Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
- Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
- Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
- Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
- The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
- Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
- Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
- The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
- The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
- The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
- Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
- Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
- The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
- The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
- Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
- The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
- The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
- The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
- The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
- The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
- The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
- Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
- Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
- Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
- Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
- Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
- Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
- The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
- The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
- The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
- The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS