Abstract
C30H28BClCuN6, 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: | Red slab |
Size | 0.20 × 0.20 × 0.05 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 0.93 mm−1 |
Diffractometer, scan mode | Rigaku Mercury70, ω |
θmax, completeness: | 27.5°, 99 % |
N(hkl)measured, N(hkl)unique, Rint: | 11245, 6149, 0.024 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 4903 |
N(param)refined: | 355 |
Programs: | REQAB [1], CrystalClear [2], SIR2014 [3], SHELX [4], WinGX/ORTEP [5] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
Cu | 0.82167 (3) | 0.24667 (3) | 0.61708 (3) | 0.02796 (10) |
Cl1 | 0.68003 (7) | 0.19846 (7) | 0.67373 (7) | 0.04129 (18) |
N11 | 0.8585 (2) | 0.25491 (19) | 0.4816 (2) | 0.0284 (4) |
N12 | 0.9911 (2) | 0.32572 (19) | 0.5349 (2) | 0.0289 (5) |
N21 | 0.9821 (2) | 0.1791 (2) | 0.6851 (2) | 0.0297 (5) |
N22 | 1.0988 (2) | 0.24965 (19) | 0.7027 (2) | 0.0297 (5) |
N31 | 0.92672 (19) | 0.43375 (19) | 0.7398 (2) | 0.0281 (4) |
N32 | 1.0636 (2) | 0.45820 (19) | 0.7810 (2) | 0.0284 (4) |
C11 | 0.7821 (2) | 0.2237 (2) | 0.3469 (2) | 0.0274 (5) |
C12 | 0.8682 (3) | 0.2763 (2) | 0.3141 (3) | 0.0314 (6) |
H12 | 0.841817 | 0.269743 | 0.226487 | 0.038* |
C13 | 0.9983 (3) | 0.3391 (2) | 0.4332 (3) | 0.0299 (5) |
C14 | 0.6342 (2) | 0.1456 (2) | 0.2596 (2) | 0.0278 (5) |
C15 | 0.5436 (3) | 0.1558 (3) | 0.1458 (3) | 0.0384 (6) |
H15 | 0.577374 | 0.214502 | 0.124564 | 0.046* |
C16 | 0.4044 (3) | 0.0811 (3) | 0.0631 (3) | 0.0462 (7) |
H16 | 0.343603 | 0.088487 | −0.014804 | 0.055* |
C17 | 0.3535 (3) | −0.0034 (3) | 0.0928 (3) | 0.0434 (7) |
H17 | 0.257771 | −0.054016 | 0.035956 | 0.052* |
C18 | 0.4415 (3) | −0.0146 (3) | 0.2048 (3) | 0.0404 (7) |
H18 | 0.406435 | −0.072940 | 0.225727 | 0.048* |
C19 | 0.5807 (3) | 0.0584 (2) | 0.2872 (3) | 0.0354 (6) |
H19 | 0.640878 | 0.049079 | 0.363809 | 0.043* |
C20 | 1.1312 (3) | 0.4105 (3) | 0.4588 (3) | 0.0389 (6) |
H20A | 1.165795 | 0.497345 | 0.531047 | 0.058* |
H20B | 1.114794 | 0.408978 | 0.373106 | 0.058* |
H20C | 1.199976 | 0.371937 | 0.488945 | 0.058* |
C21 | 1.0096 (3) | 0.0827 (2) | 0.7032 (3) | 0.0313 (5) |
C22 | 1.1426 (3) | 0.0901 (3) | 0.7303 (3) | 0.0347 (6) |
H22 | 1.187269 | 0.033175 | 0.746222 | 0.042* |
C23 | 1.1959 (2) | 0.1961 (2) | 0.7294 (2) | 0.0316 (5) |
C24 | 0.9135 (3) | −0.0114 (2) | 0.7008 (3) | 0.0319 (5) |
C25 | 0.7719 (3) | −0.0630 (3) | 0.6035 (3) | 0.0379 (6) |
H25 | 0.733737 | −0.038153 | 0.534657 | 0.045* |
C26 | 0.6852 (3) | −0.1506 (3) | 0.6053 (3) | 0.0442 (7) |
H26 | 0.588177 | −0.184993 | 0.538445 | 0.053* |
C27 | 0.7405 (3) | −0.1875 (3) | 0.7047 (3) | 0.0481 (8) |
H27 | 0.681462 | −0.247629 | 0.706124 | 0.058* |
C28 | 0.8809 (3) | −0.1375 (3) | 0.8015 (3) | 0.0478 (7) |
H28 | 0.918698 | −0.163725 | 0.869125 | 0.057* |
C29 | 0.9673 (3) | −0.0491 (3) | 0.8006 (3) | 0.0415 (7) |
H29 | 1.064036 | −0.013940 | 0.868688 | 0.050* |
C30 | 1.3350 (3) | 0.2512 (3) | 0.7552 (3) | 0.0419 (7) |
H30A | 1.322954 | 0.256575 | 0.673799 | 0.063* |
H30B | 1.389240 | 0.197965 | 0.772773 | 0.063* |
H30C | 1.384053 | 0.335206 | 0.836018 | 0.063* |
C31 | 0.9219 (2) | 0.5303 (2) | 0.8329 (2) | 0.0287 (5) |
C32 | 1.0568 (3) | 0.6166 (2) | 0.9363 (3) | 0.0338 (6) |
H32 | 1.083400 | 0.693129 | 1.014902 | 0.041* |
C33 | 1.1430 (3) | 0.5676 (2) | 0.9007 (3) | 0.0320 (6) |
C34 | 0.7886 (3) | 0.5402 (2) | 0.8124 (3) | 0.0288 (5) |
C35 | 0.6679 (3) | 0.4770 (2) | 0.6810 (3) | 0.0323 (6) |
H35 | 0.671325 | 0.426002 | 0.603732 | 0.039* |
C36 | 0.5429 (3) | 0.4871 (3) | 0.6611 (3) | 0.0383 (6) |
H36 | 0.461034 | 0.442974 | 0.570770 | 0.046* |
C37 | 0.5375 (3) | 0.5615 (3) | 0.7727 (3) | 0.0451 (7) |
H37 | 0.451690 | 0.568259 | 0.759759 | 0.054* |
C38 | 0.6564 (3) | 0.6259 (3) | 0.9026 (3) | 0.0486 (8) |
H38 | 0.652619 | 0.678477 | 0.979036 | 0.058* |
C39 | 0.7817 (3) | 0.6155 (3) | 0.9242 (3) | 0.0378 (6) |
H39 | 0.862945 | 0.659722 | 1.014922 | 0.045* |
C40 | 1.2977 (3) | 0.6183 (3) | 0.9764 (3) | 0.0422 (7) |
H40A | 1.335859 | 0.567438 | 1.018113 | 0.063* |
H40B | 1.333380 | 0.705032 | 1.049312 | 0.063* |
H40C | 1.325289 | 0.615647 | 0.911359 | 0.063* |
B1 | 1.1019 (3) | 0.3679 (3) | 0.6867 (3) | 0.0312 (6) |
H1 | 1.195644 | 0.411377 | 0.709640 | 0.037* |
Source of material
A solution of [Tl{HB(3-Ph-5-Mepz)3}] (300.5 mg, 0.437 mmol) [6] in dichloromethane (20 mL) was added slowly to a solution of CuCl2⋅2H2O (82.1 mg, 0.482 mmol) in acetone (10 mL). After the mixture was stirred for 1 h, the solvent was evaporated under vacuum, and the resulting solid was extracted with dichloromethane (30 mL). The filtrate was evaporated under vacuum, and a brown powder was obtained. Red crystals were obtained by the slow evaporation of a saturated dichloromethane/n-heptane solution held at room temperature. The second crop was contaminated by other adducts involving free pyrazole and/or coordinating solvents. Yield: 28% (72.5 mg, 0.124 mmol).
Anal. Calcd. for C30H28BClCuN6. C, 61.87; H, 4.85; N, 14.43%. Found: C; 61.80, H; 4.70, N; 14.10.
IR (JASCO FT/IR-6300 spectrophotometer, KBr; cm−1): 3058 (w) ν(C–H), 2927 (w) ν(C–H), 2535 (m) ν(B–H), 1542 (s) ν(C=N).
UV–Vis (JASCO V–570 at 298 K); λmax, nm (ε, M–1 cm–1): 369 (1660), 408 (sh, 1510), 520 (sh, 390), 906 (180).
Experimental details
The C- and B-bound H atoms were geometrically placed (C–H = 0.95–1.00 Å & B–H = 1.00 Å) and refined as riding with Uiso(H) = 1.2–1.5Ueq(C) and 1.2Ueq(B). Owing to poor agreement, two reflections, i.e. (4 8 4) and (−11 11 3), were manually omitted from the final cycles of refinement.
Discussion
Comment
The coordination chemistry of hydrotris(pyrazolyl)borate ligands has proven to be a very productive area of research. This is mainly because the coordination environment of a metal can be readily controlled by these ligands which also exert a significant influence upon second sphere coordination effects [7], [8]. This control can be moderated by altering the steric profiles of pyrazoles by substitution at the 3- and/or 5-positions of the pyrazolyl ring. By using the less hindered, parent hydridotris(pyrazolyl)borate, the formation of unreactive and coordinatively saturated complexes, [M{HB(3,5-R2pz)3}2] (R = H and Me), were easily obtained [7], [8]. In 1986, bulkier substituents were introduced at the 3-position of the pyrazolyl ring, [HB(3-Rpz)3]- (R = tBu or Ph) [9], which then lead to 3,5-disubstitution by isopropyl and phenyl groups to prevent the formation of the unreactive, bischelate formation [10], [11], [12]. Therefore, these hindered hydridotris(pyrazolyl)borate ligands were given the term ”tetrahedral enforcer” [13]. In copper(II) coordination chemistry, a D2d distorted tetrahedral structure is very important in inorganic and bioinorganic chemistry, since in copper proteins tetrahedral geometries have been reported for copper(II) centres [14]. However, it remains very difficult to obtain tetrahedral copper(II) complexes as pure compounds, since some additional ligands and/or coordinating solvents can be easily coordinated to the copper(II) centre to form five- or six-coordinate species instead. In this connection, the present work reports the X-ray structural characterization and some properties of a four-coordinate copper(II) complex with a phenyl-substituted hydridotris(pyrazolyl)borate, i.e. [Cu(Cl){HB(3-Ph-5-Mepz)3}], (I).
As mentioned above, tetrahedral copper(II) geometries are not common in coordination chemistry. Therefore, to synthesise complexes with this difficult to obtain geometry, a judicious choice of ligand needs to be made. Among these, the N3-type hydridotris(pyrazolyl)borate ligands are good candidates. By using sterically hindered hydridotris(pyrazolyl)borate ligands, tetrahedral copper(II) complexes have been obtained previously, such as [Cu(Cl){HB(3,5-iPr2pz)3}] [15], [Cu(SC6F5){HB(3,5-iPr2pz)3}] [16], [Cu(OOC(CH3)2C6H5){HB(3,5-iPr2pz)3}] [17], [Cu(OH){HB(3-tBu-5-iPrpz)3}] [18], [Cu(Cl){HB(3-tBu-5-iPrpz)3}] [19], [Cu(Cl){HB(3-Ad-5-iPrpz)3}] [19] and [Cu(Cl){HB(3-tBu-5-Mepz)3}] [20]. However, these complexes with a tetrahedral geometry were quite unstable with ligands such as [HB(3,5-iPr2pz)3]-, i.e. with reduced steric hindrance. Indeed, the addition of small amount of a coordinating solvent such as DMF into a CH2Cl2 solution of [Cu(Cl){HB(3,5-iPr2pz)3}] results in the immediate formation of the solvent adduct, [Cu(Cl)(dmf){HB(3,5-iPr2pz)3}], which was characterized by X-ray diffraction [15]. For the preparation of coordinatively unsaturated [Cu(Cl){HB(3-Ph-5-Mepz)3}], care must be made to avoid contamination by solvent and other species. Therefore, in the present study, the thallium(I) salt [Tl{HB(3-Ph-5-Mepz)3}] [6] was employed. However, the yield was very low (28%), partly because the second crop of crystals was green, consistent with the formation of five-coordinate products.
The molecular structure of (I) is shown in the figure (35% probably displacement ellipsoids). The Cu–Cl bond length in (I) is 2.1446(7) Å, which lies in the range for Cu–Cl bonds in other tetrahedral chlorido copper(II) complexes with pz ligands, viz. [Cu(Cl){HB(3,5-iPr2pz)3}] (2.125(6) Å) [15], [Cu(Cl){HB(3-tBu-5-iPrpz)3}] (2.167(1) Å) [19], [Cu(Cl){HB(3–Ad-5-iPrpz)3}] (2.1706(9) Å) [19] and [Cu(Cl){HB(3-tBu-5-Mepz)3}] (2.1738(14) and 2.1760(13) Å, for the two independent molecules) [20]. On the other hand, examples of Cu–Cl bond lengths in five-coordinate chlorido complexes are 2.260(2) Å in [Cu(Cl)(dmf){HB(3,5-iPr2pz)3}] [15] and 2.2833(8) Å in [Cu(Cl){HB(3-Ph-5-Mepz)3}(3-Ph-5-MepzH)] [21], which represent approximately 0.1 Å elongations compared with the Cu–Cl distances in the four coordinate, chlorido copper(II) percursor complexes. These parameters are comparable with those found in tetrachloridocuprates [14]. This dramatic change is due to differences in the ground state electronic configurations, which change from dz2 to dx2−y2. This change can also be observed in the d–d transition energies: 906 nm (180 M−1 cm−1) in [Cu(Cl){HB(3-Ph-5-Mepz)3}], 996 nm (150 M−1 cm−1) in [Cu(Cl){HB(3,5-iPr2pz)3}] and 758 nm (100 M−1 cm−1) in [Cu(Cl)(dmf){HB(3,5-iPr2pz)3}] [15].
The Cu–N bond lengths in (I) are experimentally distinct with Cu–N11 [1.9348(19) Å] being significantly shorter than Cu–N21 [2.088(2) Å] and Cu–N31 [2.027(2) Å]. The range of tetrahedral angles is broad, i.e. from a narrow 89.02(8)° for N11–Cu–N31 to a wide 150.98(6)° for N11–Cu–Cl1, indicating the N11 atom is approximately trans to the Cl1 atom, which accounts for the disparity in the Cu–N bonds, and a significant deviation from molecular three-fold symmetry.
In the crystal, a prominent intermolecular contact is a phenyl–C–H⃛Cl [C18–H18⃛Cl1i: H18⃛Cl1i = 2.66 Å, C18⃛Cl1i = 3.596(4) Å with angle at H18 = 169°; symmetry operation (i) 1−x, −y, 1−z] interaction between centrosymmetrically related molecules which leads to the formation of a two-molecule aggregate. The only other identified contacts are methyl–C–H⃛π(pyrazolyl) [C20–H20a⃛Cg(N11,N12,C11–C13)ii: H20a⃛Cg(N11,N12,C11–C13)ii = 2.82 Å with angle at H20a = 141° and C20–H20b⃛Cg(N31,N32,C31–C33)ii: H20b⃛Cg(N31,N32,C31–C33)ii = 2.89 Å with angle at H20b = 148° for (ii) 2−x, 1−y, 1−z] interactions, which connect the dimeric aggregates into a supramolecular layer in the ab-plane; layers stack without directional interactions between them.
An analysis of the supramolecular association in the crystal of (I) was also performed by calculating the Hirshfeld surface as well as the full and delineated two-dimensional fingerprint plots employing Crystal Explorer 17 [22] and literature methods [23]. The specified H⃛Cl contacts leading to the dimeric aggregates appear as sharp spikes in the fingerprint plot delineated into H⃛Cl/Cl⃛H contacts; overall, these contribute 8.0% of all contacts to the surface. In the same way, characteristic wings are noted in the delineated fingerprint for H⃛C/C⃛H contacts, which contribue 28.7% to the calculated Hirshfeld surface. The major contribution to the surface comes from H⃛H contacts at 52.7%. Smaller contributions but, at relatively long separations are made by H⃛N/N⃛H [6.2%] and C⃛C [3.8%] contacts.
Funding source: Osaka City University
Funding source: Sunway University
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: KF is grateful for support from the joint usage/research programme “Artificial Photosynthesis” based at Osaka City University. Sunway University Sdn Bhd is thanked for financial support of this work through Grant No. STR–RCTR–RCCM‐001–2019.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2020 Kiyoshi Fujisawa et al., published by De Gruyter, Berlin/Boston
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- The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1O)manganese(II), C20H26O12Mn
- Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO
- The crystal structure of dipentaerthritol hexanitrate, C10H16N6O19
- Crystal structure of N,N-diphenylformamide, C13H11NO
- Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2
- Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates
- Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O,O')yttrium(III)], C51H79O11Y
- Crystal structure of benzylthiouronium chloride, C8H11ClN2S
- Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7
- Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C8H8O3
- Crystal structure of poly[diaqua-(m3-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K4O,O′:O″:O‴) cadmium(II)], C16H11O10Cd
- Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)} – water – acetone (1/1/8/2)
- Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ2N,O}zinc(II)-methanol(1/2), C65H60Br4N8O9Zn2
- Crystal structure of benzenesulphonic acid
- Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2
- Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4N:N′,O:O′)silver(I)], C12H18O8N4S2Ag2
- Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C26H18N6NiS4
- Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2N,O)-(phenanthroline-k2N,N')copper(II), C23H15ClCuN4O3
- Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2
- Crystal structure of poly[aqua-(μ2-3,3′,4,5′-biphenyl tetracarboxylate- κ3O,O′:O′′) -(μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)zinc(II)], C27H18NO9Zn
- Crystal structure of catena-poly[(μ2-3-amino-benzenedisulfonato-κ2N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C26H24N3O3SAg
- Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S
- Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS
- Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O
- Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN3]borato}copper(II), C30H28BClCuN6
- Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms
- Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO
- Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN3]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C20H30BClCuN8
- The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O
- Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO
- Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1S]gold(I), C26H40AuFNOPS
- Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4
- The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
- Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN3]borato}thallium(I), C30H52BN6Tl
- Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O
- The crystal structure of 2,6-difluorophenol, C6H4F2O
- 4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO
- The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
- The crystal structure of 1,2-dimethylimidazole, C5H8N2
- The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
- The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl
- The crystal structure of butyrylferrocene, C14H16FeO
- The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2
- The crystal structure of 2-iso-propylimidazole, C6H10N2
- The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2O,O′)-lanthanum(III), C45H35LaO7
- Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
- The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
- Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh
- Crystal structure of (1aS,1a1S,2S)-4a-butoxy-1a,1a1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5
- Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh
- Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2
- Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3O,O′:O′)-bis(5-chloro-salicylato-κ2O,O′)-bis(1,10-phenanthroline-κ2N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)
- Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7
- The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
- Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
- The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
- Crystal structure of fac-tricarbonyl-(nitrato-k1O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re
- Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6
- The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
- Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2
- The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN
- The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
- The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3
- The crystal structure of 3-chloropropionic acid, C3H5ClO2
- The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O
- The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)
- A new polymorph of tetrakis(dimethylammonium) catena-poly[tetrakis(μ2-sulfato-κ2O:O′)dizinc(II)], Zn2C8H32N4O16S4
- Crystal structure of 10-oxysophoridine, C15H22N2O2
- The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O4
- Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2
- The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10
- Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr
- The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re
- Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu
- The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O5
- Structure of the mixed crystal (S)-(6-(bromo/chloro)-2-methoxy-2,6-dihydroquinolin-3-yl)(phenyl)methanol, C17H14Br0.5Cl0.5NO2
- The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1O)manganese(II), C20H26O12Mn
- Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO
- The crystal structure of dipentaerthritol hexanitrate, C10H16N6O19
- Crystal structure of N,N-diphenylformamide, C13H11NO
- Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2
- Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates
- Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O,O')yttrium(III)], C51H79O11Y
- Crystal structure of benzylthiouronium chloride, C8H11ClN2S
- Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7
- Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C8H8O3
- Crystal structure of poly[diaqua-(m3-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K4O,O′:O″:O‴) cadmium(II)], C16H11O10Cd
- Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)} – water – acetone (1/1/8/2)
- Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ2N,O}zinc(II)-methanol(1/2), C65H60Br4N8O9Zn2
- Crystal structure of benzenesulphonic acid
- Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2
- Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4N:N′,O:O′)silver(I)], C12H18O8N4S2Ag2
- Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C26H18N6NiS4
- Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2N,O)-(phenanthroline-k2N,N')copper(II), C23H15ClCuN4O3
- Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2
- Crystal structure of poly[aqua-(μ2-3,3′,4,5′-biphenyl tetracarboxylate- κ3O,O′:O′′) -(μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)zinc(II)], C27H18NO9Zn
- Crystal structure of catena-poly[(μ2-3-amino-benzenedisulfonato-κ2N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C26H24N3O3SAg
- Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S
- Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS
- Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O
- Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN3]borato}copper(II), C30H28BClCuN6
- Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms
- Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO
- Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN3]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C20H30BClCuN8
- The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O
- Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO
- Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1S]gold(I), C26H40AuFNOPS
- Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4
- The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
- Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN3]borato}thallium(I), C30H52BN6Tl
- Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O
- The crystal structure of 2,6-difluorophenol, C6H4F2O
- 4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO
- The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
- The crystal structure of 1,2-dimethylimidazole, C5H8N2
- The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
- The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl
- The crystal structure of butyrylferrocene, C14H16FeO
- The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2
- The crystal structure of 2-iso-propylimidazole, C6H10N2
- The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2O,O′)-lanthanum(III), C45H35LaO7
- Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
- The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
- Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh
- Crystal structure of (1aS,1a1S,2S)-4a-butoxy-1a,1a1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5
- Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh
- Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2
- Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3O,O′:O′)-bis(5-chloro-salicylato-κ2O,O′)-bis(1,10-phenanthroline-κ2N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)
- Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7
- The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
- Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
- The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
- Crystal structure of fac-tricarbonyl-(nitrato-k1O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re
- Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6
- The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
- Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2
- The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN
- The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
- The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3
- The crystal structure of 3-chloropropionic acid, C3H5ClO2
- The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3