Abstract
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: | Yellow block |
| Size: | 0.20 × 0.20 × 0.15 mm |
| Wavelength: | Cu Kα radiation (1.54178 Å) |
| μ: | 0.53 mm−1 |
| Diffractometer, scan mode: | Bruker Smart Apex II, φ and ω |
| θ max, completeness: | 63.9°, 99 % |
| N(hkl)measured, N(hkl)unique, R int: | 13,540, 4716, 0.068 |
| Criterion for I obs, N(hkl)gt: | I obs > 2σ(I obs), 3141 |
| N(param)refined: | 411 |
| Programs: | Bruker [1], Olex2 [2], SHELX [3, 4], Diamond [5] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | U iso*/U eq |
|---|---|---|---|---|
| O1 | −0.7987 (3) | −0.1290 (3) | −0.08036 (18) | 0.0792 (11) |
| N1 | −0.7140 (4) | −0.0590 (3) | −0.1808 (2) | 0.0703 (12) |
| N2 | −0.8916 (3) | −0.3639 (3) | −0.0840 (2) | 0.0552 (9) |
| C1 | −1.1319 (5) | −0.3073 (4) | −0.1626 (3) | 0.0693 (14) |
| H1A | −1.127 (4) | −0.294 (3) | −0.108 (3) | 0.055 (12)* |
| H1B | −1.210 (6) | −0.309 (4) | −0.185 (4) | 0.11 (2)* |
| C2 | −1.0815 (5) | −0.4074 (4) | −0.1788 (3) | 0.0660 (13) |
| H2A | −1.083 (4) | −0.438 (3) | −0.133 (3) | 0.054 (12)* |
| H2B | −1.136 (5) | −0.434 (4) | −0.216 (3) | 0.10 (2)* |
| C3 | −0.9640 (4) | −0.4046 (3) | −0.2107 (3) | 0.0577 (11) |
| C4 | −0.8721 (4) | −0.3751 (3) | −0.1654 (2) | 0.0532 (11) |
| C5 | −0.7783 (4) | −0.3360 (3) | −0.2007 (3) | 0.0586 (12) |
| H5 | −0.725 (4) | −0.308 (3) | −0.172 (3) | 0.065 (15)* |
| C6 | −0.7710 (4) | −0.3245 (4) | −0.2806 (3) | 0.0628 (13) |
| C7 | −0.8501 (5) | −0.3735 (4) | −0.3251 (3) | 0.0673 (14) |
| H7 | −0.844 (4) | −0.370 (4) | −0.384 (3) | 0.090 (18)* |
| C8 | −0.9428 (5) | −0.4133 (4) | −0.2903 (3) | 0.0650 (13) |
| H8 | −0.999 (4) | −0.437 (3) | −0.323 (3) | 0.069 (15)* |
| C9 | −0.7016 (5) | −0.2461 (4) | −0.3144 (3) | 0.0752 (15) |
| H9A | −0.670 (4) | −0.272 (4) | −0.367 (3) | 0.077 (16)* |
| H9B | −0.638 (6) | −0.229 (5) | −0.281 (4) | 0.12 (2)* |
| C10 | −0.7730 (5) | −0.1561 (4) | −0.3305 (3) | 0.0671 (14) |
| H10A | −0.726 (5) | −0.104 (4) | −0.318 (3) | 0.072 (16)* |
| H10B | −0.790 (4) | −0.158 (3) | −0.384 (3) | 0.068 (14)* |
| C11 | −0.8827 (4) | −0.1537 (3) | −0.2854 (3) | 0.0561 (11) |
| C12 | −0.9810 (5) | −0.1830 (4) | −0.3229 (3) | 0.0658 (14) |
| H12 | −0.980 (3) | −0.184 (3) | −0.373 (3) | 0.044 (12)* |
| C13 | −1.0713 (5) | −0.2207 (4) | −0.2831 (3) | 0.0641 (13) |
| H13 | −1.127 (5) | −0.247 (3) | −0.313 (3) | 0.067 (15)* |
| C14 | −1.0664 (4) | −0.2327 (3) | −0.2033 (3) | 0.0582 (11) |
| C15 | −0.9804 (4) | −0.1840 (3) | −0.1647 (3) | 0.0543 (11) |
| H15 | −0.974 (4) | −0.183 (3) | −0.108 (3) | 0.058 (13)* |
| C16 | −0.8896 (4) | −0.1458 (3) | −0.2038 (3) | 0.0531 (11) |
| C17 | −0.7960 (4) | −0.1078 (3) | −0.1573 (2) | 0.0558 (11) |
| C18 | −0.6972 (5) | −0.0903 (4) | −0.0473 (3) | 0.0728 (14) |
| H18A | −0.648022 | −0.139299 | −0.028449 | 0.087* |
| H18B | −0.715134 | −0.048987 | −0.004421 | 0.087* |
| C19 | −0.6414 (4) | −0.0371 (3) | −0.1131 (3) | 0.0625 (12) |
| H19 | −0.566449 | −0.063733 | −0.122212 | 0.075* |
| C20 | −0.6288 (5) | 0.0673 (4) | −0.1009 (3) | 0.0718 (13) |
| C21 | −0.7428 (6) | 0.1122 (5) | −0.0823 (5) | 0.113 (3) |
| H21A | −0.793416 | 0.103069 | −0.125306 | 0.169* |
| H21B | −0.732519 | 0.177566 | −0.073566 | 0.169* |
| H21C | −0.774002 | 0.083961 | −0.036488 | 0.169* |
| C22 | −0.5459 (5) | 0.0844 (4) | −0.0345 (3) | 0.0850 (17) |
| H22A | −0.575949 | 0.058888 | 0.012831 | 0.128* |
| H22B | −0.534395 | 0.150071 | −0.028218 | 0.128* |
| H22C | −0.475216 | 0.054925 | −0.046224 | 0.128* |
| C23 | −0.5800 (7) | 0.1095 (5) | −0.1745 (4) | 0.118 (3) |
| H23A | −0.512542 | 0.076661 | −0.188707 | 0.177* |
| H23B | −0.562488 | 0.173780 | −0.165514 | 0.177* |
| H23C | −0.634204 | 0.104654 | −0.215858 | 0.177* |
| C24 | −0.8218 (4) | −0.3921 (3) | −0.0318 (2) | 0.0522 (10) |
| C25 | −0.8458 (4) | −0.3661 (3) | 0.0498 (3) | 0.0549 (11) |
| C26 | −0.9105 (4) | −0.2879 (3) | 0.0664 (3) | 0.0597 (12) |
| H26 | −0.934721 | −0.249822 | 0.025945 | 0.072* |
| C27 | −0.9393 (5) | −0.2661 (4) | 0.1421 (3) | 0.0717 (14) |
| H27 | −0.982847 | −0.213653 | 0.152456 | 0.086* |
| C28 | −0.9032 (5) | −0.3224 (4) | 0.2025 (3) | 0.0793 (16) |
| H28 | −0.924475 | −0.308724 | 0.253297 | 0.095* |
| C29 | −0.8364 (5) | −0.3981 (4) | 0.1877 (3) | 0.0763 (15) |
| H29 | −0.810673 | −0.434790 | 0.228636 | 0.092* |
| C30 | −0.8072 (4) | −0.4200 (4) | 0.1118 (3) | 0.0669 (13) |
| H30 | −0.761243 | −0.471152 | 0.102143 | 0.080* |
| C31 | −0.7229 (4) | −0.4537 (3) | −0.0469 (2) | 0.0559 (11) |
| C32 | −0.6169 (5) | −0.4267 (5) | −0.0226 (3) | 0.0838 (17) |
| H32 | −0.607411 | −0.369694 | 0.002154 | 0.101* |
| C33 | −0.5247 (6) | −0.4836 (6) | −0.0349 (5) | 0.119 (3) |
| H33 | −0.453098 | −0.464117 | −0.019855 | 0.143* |
| C34 | −0.5391 (7) | −0.5698 (6) | −0.0696 (4) | 0.117 (3) |
| H34 | −0.477698 | −0.609107 | −0.077033 | 0.140* |
| C35 | −0.6460 (7) | −0.5967 (5) | −0.0932 (4) | 0.097 (2) |
| H35 | −0.656317 | −0.654524 | −0.116411 | 0.117* |
| C36 | −0.7372 (5) | −0.5385 (4) | −0.0825 (3) | 0.0714 (14) |
| H36 | −0.808385 | −0.556655 | −0.099458 | 0.086* |
1 Source of materials
We started the synthesis of 4–Benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane from 4-bromo-12-(4-tert-butyl oxazolin-2-yl) [2.2]paracyclophane diastereomers, which were prepared from racemic 4,12-dibromo[2.2]paracyclophane according to the literature [6, 7]. The (S, S p )-diastereomer-dominated and (S, R p )-diastereomer-dominated products were obtained by column chromatography of separation (ethyl acetate: petroleum ether = 1:25 and a small amount of triethylamine 5 drops/500 mL). For (S, R p )-diastereomer based products, a small amount of (S, S p )-diastereomer was further removed by ethanol recrystallization. The remaining (S, R p )-product was recrystallized with n-hexane affording yellow crystals.
2 Experimental details
The structure was solved by Direct Methods with the SHELX [3]. All H-atoms were positioned geometrically and refined using a riding model with d(C–H) = 0.93 Å,
3 Comment
The [2.2]paracyclophane derivatives play an important role in asymmetric catalysis [8]. Substituted [2.2]paracyclophanes with planar chirality used as ligands and proceed in asymmetric catalysis were first reported in 1997 [9]. Since then, many planar chiral [2.2]paracyclophane derivatives have been synthesized and applied in all kinds of asymmetric transformations. The synthesis of double chiral ligands with a planar chiral [2.2]paracyclophane is a hot topic. It is a good strategy to construct bichiral ligands by introducing oxazoline derivatives which have excellent coordination ability and center chirality to [2.2]paracyclophane skeleton. It is important to study the crystal structure of double-chiral ligands for the study of its catalytic mechanism. We previously reported a crystal structure of (S, S p )tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate.
The structure of the title compound is illustrated in the figure, its absolute conguration of the [2.2]paracyclophane moiety is established as (R
p
) by comparison with the known conguration of the S-oxazoline moiety. The single-crystal structure verifies that all bond lengths are in normal ranges. The constrained [2.2]paracyclophane core gives boatlike conformation as well as the similar pseudo-para substituted structure [10], but the direction of methylene bonds C1–C2 and C9–C10 is twisted rather than parallel, the nonbonded C–C distance between the ipso carbons, C3 and C14 (2.75 Å) is also not exactly same with C6 and C11(2.79 Å). The two planes across C4/C5/C7/C8 and C12/C13/C15/C16 are not parallel like pseudo-para substituted structure [10], the dihedral angles up to 2.75(3)° which is the same than in the similar pseudo-ortho substituted structure (2.79(4)°) [11]. Additionally, the side with substituents C4/C5 and C15/C16 are closer to each other than the other side which is similar to (S
p
, S) tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate and unusual to other similar structures [11], [12], [13]. This may be due to the involvement of substituents in intermolecular interactions. There are only intermolecular interactions and non-classical hydrogen bonds in this molecule. The presence of non-classical hydrogen bonds between C–H donors and the aromatic C atom from other molecules [
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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: Scientific Research Program Funded by Hebei Province Education Department (BJ2019205) and the 2022 fund project of Hebei Normal University For Nationalities (grant No. QN2022001).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
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© 2023 the author(s), 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
- 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