Abstract
C21H30N24O33, orthorhombic, P212121 (no. 19), a = 12.6527(16) Å, b = 16.395(2) Å, c = 20.606(3) Å, V = 4274.5(9) Å3, Z = 4, Rgt(F) = 0.0367, wRref(F2) = 0.0907, T = 200(2) K.
The asymmetric unit of the title crystal structure is shown in the figure (The central carbon atoms of dimethylcarbonate and the atoms in the wurtzite core are labelled). Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Colourless block |
Size: | 0.50 × 0.46 × 0.23 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 0.17 mm−1 |
Diffractometer, scan mode: | Bruker APEX-II CCD, φ and ω |
θmax, completeness: | 28.3°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 31127, 10583, 0.034 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 8856 |
N(param)refined: | 709 |
Programs: | Bruker [1], [2] , SHELX [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
C1 | 0.67513(17) | 0.11226(14) | −0.04947(11) | 0.0176(5) |
H1 | 0.6170 | 0.1213 | −0.0816 | 0.021* |
C2 | 0.71257(18) | 0.10781(14) | 0.06793(11) | 0.0180(5) |
H2 | 0.6778 | 0.1127 | 0.1113 | 0.022* |
C3 | 0.88556(19) | 0.12269(14) | 0.02720(11) | 0.0186(5) |
H3 | 0.9569 | 0.1456 | 0.0373 | 0.022* |
C4 | 0.86085(18) | 0.12678(15) | −0.04829(11) | 0.0186(5) |
H4 | 0.9209 | 0.1521 | −0.0726 | 0.022* |
C5 | 0.72426(18) | 0.02451(14) | −0.05742(11) | 0.0163(5) |
H5 | 0.6887 | −0.0067 | −0.0929 | 0.020* |
C6 | 0.76366(18) | 0.02093(14) | 0.05954(11) | 0.0165(5) |
H6 | 0.7534 | −0.0129 | 0.0995 | 0.020* |
C7 | 0.16906(18) | 0.88948(14) | −0.04092(11) | 0.0176(5) |
H7 | 0.1095 | 0.8825 | −0.0723 | 0.021* |
C8 | 0.35371(18) | 0.86825(14) | −0.04170(11) | 0.0184(5) |
H8 | 0.4118 | 0.8408 | −0.0663 | 0.022* |
C9 | 0.37974(19) | 0.87187(15) | 0.03383(11) | 0.0194(5) |
H9 | 0.4498 | 0.8466 | 0.0439 | 0.023* |
C10 | 0.20928(18) | 0.89493(14) | 0.07624(11) | 0.0183(5) |
H10 | 0.1757 | 0.8921 | 0.1201 | 0.022* |
C11 | 0.26522(18) | 0.97982(14) | 0.06586(11) | 0.0165(5) |
H11 | 0.2591 | 1.0149 | 0.1054 | 0.020* |
C12 | 0.22264(18) | 0.97472(14) | −0.05036(11) | 0.0163(5) |
H12 | 0.1879 | 1.0062 | −0.0860 | 0.020* |
C13 | 0.4492(3) | 0.6330(2) | 0.24227(18) | 0.0594(10) |
H13A | 0.3803 | 0.6586 | 0.2346 | 0.089* |
H13B | 0.5022 | 0.6580 | 0.2138 | 0.089* |
H13C | 0.4699 | 0.6410 | 0.2877 | 0.089* |
C14 | 0.3681(2) | 0.50758(18) | 0.26046(13) | 0.0377(7) |
C15 | 0.3010(3) | 0.37583(19) | 0.27823(15) | 0.0499(9) |
H15A | 0.3177 | 0.3781 | 0.3246 | 0.075* |
H15B | 0.3095 | 0.3198 | 0.2626 | 0.075* |
H15C | 0.2278 | 0.3934 | 0.2714 | 0.075* |
C16 | 0.7686(3) | 0.60670(18) | 0.27272(14) | 0.0407(7) |
H16A | 0.7123 | 0.6168 | 0.3044 | 0.061* |
H16B | 0.7924 | 0.6587 | 0.2543 | 0.061* |
H16C | 0.8280 | 0.5796 | 0.2943 | 0.061* |
C17 | 0.6951(2) | 0.48224(17) | 0.24002(12) | 0.0298(6) |
C18 | 0.6158(3) | 0.36378(18) | 0.19977(15) | 0.0418(7) |
H18A | 0.6671 | 0.3289 | 0.2222 | 0.063* |
H18B | 0.5961 | 0.3386 | 0.1584 | 0.063* |
H18C | 0.5527 | 0.3702 | 0.2269 | 0.063* |
C19 | 0.4624(3) | 0.1336(2) | 0.76764(17) | 0.0488(8) |
H19A | 0.4813 | 0.1492 | 0.8121 | 0.073* |
H19B | 0.3952 | 0.1593 | 0.7557 | 0.073* |
H19C | 0.5179 | 0.1517 | 0.7378 | 0.073* |
C20 | 0.5343(2) | 0.00383(17) | 0.78435(13) | 0.0324(6) |
C21 | 0.5933(3) | −0.1312(2) | 0.79420(17) | 0.0515(9) |
H21A | 0.6596 | −0.1184 | 0.7718 | 0.077* |
H21B | 0.5711 | −0.1867 | 0.7830 | 0.077* |
H21C | 0.6038 | −0.1272 | 0.8412 | 0.077* |
N1 | 0.76299(15) | 0.17019(12) | −0.06041(9) | 0.0182(4) |
N2 | 0.76032(17) | 0.21102(12) | −0.12215(10) | 0.0228(4) |
N3 | 0.63625(15) | 0.12045(12) | 0.01645(10) | 0.0192(4) |
N4 | 0.56919(16) | 0.18908(13) | 0.02691(11) | 0.0244(5) |
N5 | 0.80259(15) | 0.16525(12) | 0.06283(9) | 0.0197(4) |
N6 | 0.83572(19) | 0.19763(13) | 0.12476(10) | 0.0281(5) |
N7 | 0.83347(15) | 0.04729(12) | −0.07550(9) | 0.0176(4) |
N8 | 0.91015(16) | −0.01199(15) | −0.07923(10) | 0.0258(5) |
N9 | 0.71715(16) | −0.01795(12) | 0.00381(9) | 0.0177(4) |
N10 | 0.71156(18) | −0.10363(13) | 0.00353(10) | 0.0260(5) |
N11 | 0.87663(15) | 0.03741(12) | 0.04816(9) | 0.0180(4) |
N12 | 0.94883(17) | 0.01129(14) | 0.09679(10) | 0.0254(5) |
N13 | 0.13075(15) | 0.88337(12) | 0.02540(10) | 0.0190(4) |
N14 | 0.06187(16) | 0.81587(13) | 0.03667(11) | 0.0260(5) |
N15 | 0.25249(15) | 0.82830(12) | −0.05325(9) | 0.0187(4) |
N16 | 0.24530(18) | 0.79141(13) | −0.11655(10) | 0.0247(5) |
N17 | 0.29435(16) | 0.83362(12) | 0.07026(9) | 0.0201(4) |
N18 | 0.32585(19) | 0.79562(13) | 0.12969(10) | 0.0282(5) |
N19 | 0.21885(16) | 1.01884(11) | 0.01018(9) | 0.0171(4) |
N20 | 0.20948(18) | 1.10386(13) | 0.00988(11) | 0.0270(5) |
N21 | 0.33004(15) | 0.94896(12) | −0.06905(9) | 0.0176(4) |
N22 | 0.40889(16) | 1.00570(14) | −0.07196(10) | 0.0258(5) |
N23 | 0.37591(15) | 0.95743(12) | 0.05306(9) | 0.0177(4) |
N24 | 0.45569(16) | 0.98858(14) | 0.09337(10) | 0.0254(5) |
O1 | 0.84458(15) | 0.23413(12) | −0.14328(9) | 0.0328(4) |
O2 | 0.67422(14) | 0.22262(12) | −0.14531(9) | 0.0326(4) |
O3 | 0.52551(16) | 0.21602(12) | −0.02126(10) | 0.0410(5) |
O4 | 0.55785(15) | 0.21182(11) | 0.08219(9) | 0.0321(4) |
O5 | 0.76596(17) | 0.21543(13) | 0.16197(9) | 0.0405(5) |
O6 | 0.92974(16) | 0.20657(15) | 0.13298(10) | 0.0442(5) |
O7 | 1.00103(13) | 0.01225(14) | −0.07588(10) | 0.0364(5) |
O8 | 0.88062(17) | −0.08185(12) | −0.08696(10) | 0.0386(5) |
O9 | 0.67274(17) | −0.13544(11) | −0.04388(10) | 0.0373(5) |
O10 | 0.7424(2) | −0.13729(11) | 0.05235(10) | 0.0442(6) |
O11 | 1.03522(14) | 0.04300(13) | 0.09654(9) | 0.0343(5) |
O12 | 0.91996(17) | −0.04454(14) | 0.13097(11) | 0.0484(6) |
O13 | 0.05004(16) | 0.79488(13) | 0.09236(10) | 0.0392(5) |
O14 | 0.01861(17) | 0.78776(12) | −0.01076(10) | 0.0413(5) |
O15 | 0.15714(15) | 0.78373(12) | −0.13831(10) | 0.0363(5) |
O16 | 0.32714(15) | 0.76718(12) | −0.14031(9) | 0.0338(5) |
O17 | 0.25428(17) | 0.77779(12) | 0.16647(9) | 0.0369(5) |
O18 | 0.41859(17) | 0.78036(15) | 0.13639(10) | 0.0468(6) |
O19 | 0.2355(2) | 1.13853(11) | 0.05933(10) | 0.0441(6) |
O20 | 0.17145(18) | 1.13437(11) | −0.03828(10) | 0.0391(5) |
O21 | 0.38337(17) | 1.07637(12) | −0.07984(10) | 0.0383(5) |
O22 | 0.49939(13) | 0.97899(15) | −0.06786(10) | 0.0383(5) |
O23 | 0.43954(16) | 1.05537(12) | 0.11665(9) | 0.0364(5) |
O24 | 0.53618(15) | 0.94879(14) | 0.09710(10) | 0.0391(5) |
O25 | 0.4423(2) | 0.54612(16) | 0.22842(12) | 0.0632(8) |
O26 | 0.30677(16) | 0.53597(13) | 0.29828(9) | 0.0402(5) |
O27 | 0.3716(2) | 0.42919(14) | 0.24302(10) | 0.0571(7) |
O28 | 0.72880(17) | 0.55502(12) | 0.22136(9) | 0.0378(5) |
O29 | 0.69442(16) | 0.45652(11) | 0.29486(8) | 0.0360(5) |
O30 | 0.66216(17) | 0.44240(12) | 0.18785(8) | 0.0382(5) |
O31 | 0.45195(17) | 0.04644(14) | 0.76383(11) | 0.0460(5) |
O32 | 0.61348(15) | 0.03081(13) | 0.80771(9) | 0.0395(5) |
O33 | 0.51323(18) | −0.07451(13) | 0.77449(12) | 0.0515(6) |
Source of material
2,4,6,8,10,12-hexanitrohexaazaisowurtzitane CL20 is easily available by a literature known synthesis [4]. In a typical reaction 0.1 g CL20 was dissolved in 5 mL concentrated dimethyl carbonate. Evaporation at room temperature yielded colourless crystals of (dpma) 2(CH3OCOOCH3)3.
Experimental details
The methyl groups were idealized and refined using rigid groups allowed to rotate about N—C bond (APEX2 option of the SHELXL-2014 program). The coordinates of the H-atoms were refined with the C—H distance restrained to 0.98 Å. The Uiso values of the hydrogen atoms of methyl groups were set to 1.5Ueq(C) and the Uiso values of all other hydrogen atoms were set to 1.2Ueq(C,N). The structural fit with centrosymmetric space group Pbca is 87%. As the structure can be refined without any serious disorder the non-centrosymmetric space group P212121 has been choosen.
Comment
Pseudosymmetry is a problem, which may be present during the course of many crystal structure determinations [5]. A typical problem is the appearance of additional and weak superstructure reflections which necessiate a larger super lattice for a correct description of the true structure. Another problem is that the true space group is sometimes obscured by the fact that some extinction rules are slightly disrupted by weak reflections. It is obvious that some classes of compounds are predestined for this effect [6]. This contributation is part of our ongoing interest in the hydrogen bonding of CL-20 (2,4,6,8,10,12-hexanitrohexaazaisowurtzitane) and its derivatives [7], [8].
The asymmetric unit of the title structure consists of two CL20 molecules and three dimethyl carbonates. Simple CL20 solvate structures may be a class of compounds which feature pseudosymmetry problems. All molecules are connected via charge supported non-classical CH⋯O hydrogen bonds.
Acknowledgements
We thank the Center Testing and Analysis, Beijing Normal University, for support.
References
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©2019 Fanfan Shen, published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 Public License.
Articles in the same Issue
- Cover and Frontmatter
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- Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
- The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
- Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
- The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
- The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
- Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
- Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
- The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
- Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
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- Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
- Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
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- Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
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- The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
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- Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
- Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
- Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
- Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
- Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
- Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
- Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
- Crystal structure of ajacisine D monohydrate, C30H44N2O9
- The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
- Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
- The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
- Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
- Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
- Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
- Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
- Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
- The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
- Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
- Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
- Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
- The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
- Crystal structure of 2-isopropylthioxanthone, C16H14OS
- Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
- Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
- Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
- Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
- Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
- Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
- Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
- Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
- Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
- The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
- Crystal structure of (1,4-diazepane)4CuII2(μ-Cl)10CuI6, C20H48Cl10Cu8N8
- Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S
- Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
- Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S
- Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
- Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
- Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
- Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
- Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
- The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
- Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
- Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
- Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4
- Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru
- Crystal structure of 2-((4-nitrophenyl)thio)ethan-1-ol, C8H9NO3S
- Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3
- Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4
- The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
- Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
- Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
- Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
- The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
- Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
- The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
- The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
- Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
- Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
- The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
- Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
- Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
- Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
- Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
- Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
- Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
- Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
- Crystal structure of triethylammonium(5-carboxypyridine-2-thiolato-κ2N,S)-bis(dimethylsulfoxide-κ1S)-(6-sulfidonicotinato-κ2N,S)ruthenium(II) trihydrate, C22H41N3O9RuS4
- The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
- Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
- Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co
- Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1O)tricopper(II) - water (1/4), C62H70Cu3N4O32
- Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
- Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
- Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
- Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
- Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
- Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
- Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
- Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
- Crystal structure of ajacisine D monohydrate, C30H44N2O9
- The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
- Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
- The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
- Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
- Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
- Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
- Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
- Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
- The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
- Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
- Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
- Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
- The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
- Crystal structure of 2-isopropylthioxanthone, C16H14OS
- Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
- Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
- Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
- Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
- Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
- Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS