Home Physical Sciences The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
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The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O

  • Xinyao Liu , Qianyu Liu , Leijie Xiao and Weiwei Fu ORCID logo EMAIL logo
Published/Copyright: August 9, 2023
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 238 Issue 5

Abstract

C42H27MnN5O9·2H2O, triclinic, P 1 ‾ (no. 2), a = 12.4250(8) Å, b = 12.7259(8) Å, c = 14.2946(9) Å, α = 64.102(2)°, β = 79.774(2)°, γ = 62.453(2)°, V = 1801.9(2) Å3, Z = 2, Rgt(F) = 0.0344, wRref(F2) = 0.0951, T = 150 K.

CCDC no.: 2268378

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Yellow block
Size: 0.20 × 0.15 × 0.10 mm
Wavelength: Ga Kα radiation (1.34138 Å)
μ: 2.45 mm−1
Diffractometer, scan mode: Bruker SMART APEX-II, φ and ω
θmax, completeness: 57.0°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 24,998, 7320, 0.034
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 6995
N(param)refined: 540
Programs: Bruker [1], Shelx [2, 3], Olex2 [4]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Atom x y z Uiso*/Ueq
C1 0.27754 (14) 1.06304 (15) 0.36388 (12) 0.0185 (3)
H1 0.194091 1.081205 0.366117 0.022*
C2 0.31347 (15) 1.15417 (16) 0.28889 (12) 0.0208 (3)
H2 0.256168 1.233232 0.240454 0.025*
C3 0.43511 (15) 1.12688 (16) 0.28644 (13) 0.0232 (3)
H3 0.462595 1.187341 0.235675 0.028*
C4 0.51709 (14) 1.01067 (16) 0.35851 (12) 0.0201 (3)
H4 0.600826 0.990896 0.357942 0.024*
C5 0.47404 (13) 0.92419 (14) 0.43127 (11) 0.0149 (3)
C6 0.55378 (14) 0.79673 (15) 0.51235 (11) 0.0156 (3)
C7 0.67991 (14) 0.74805 (15) 0.51795 (12) 0.0174 (3)
H7 0.720245 0.796917 0.469915 0.021*
C8 0.74594 (14) 0.62557 (15) 0.59588 (12) 0.0182 (3)
C9 0.68217 (14) 0.55818 (15) 0.66497 (12) 0.0188 (3)
H9 0.724679 0.474829 0.718189 0.023*
C10 0.55665 (14) 0.61323 (15) 0.65570 (11) 0.0167 (3)
C11 0.48122 (14) 0.54860 (15) 0.72610 (12) 0.0167 (3)
C12 0.53062 (15) 0.42921 (16) 0.81052 (12) 0.0214 (3)
H12 0.615364 0.385732 0.826379 0.026*
C13 0.45404 (16) 0.37469 (16) 0.87116 (13) 0.0244 (3)
H13 0.485864 0.293401 0.929144 0.029*
C14 0.33089 (16) 0.43998 (16) 0.84626 (12) 0.0220 (3)
H14 0.276937 0.404191 0.886238 0.026*
C15 0.28823 (15) 0.55902 (16) 0.76143 (12) 0.0191 (3)
H15 0.203692 0.604299 0.744486 0.023*
C16 0.88009 (14) 0.56570 (15) 0.60686 (12) 0.0188 (3)
C17 0.94391 (14) 0.63969 (15) 0.58409 (12) 0.0200 (3)
H17 0.901187 0.731573 0.557279 0.024*
C18 1.06926 (14) 0.58050 (15) 0.60017 (12) 0.0189 (3)
H18 1.111675 0.631341 0.586412 0.023*
C19 1.13188 (14) 0.44607 (15) 0.63662 (12) 0.0179 (3)
C20 1.07064 (14) 0.37115 (15) 0.65493 (13) 0.0200 (3)
H20 1.114317 0.279875 0.676443 0.024*
C21 0.94552 (14) 0.43086 (16) 0.64150 (13) 0.0210 (3)
H21 0.903397 0.379550 0.656011 0.025*
C22 1.32833 (14) 0.26314 (15) 0.73166 (12) 0.0173 (3)
C23 1.29628 (15) 0.17456 (16) 0.81579 (13) 0.0221 (3)
H23 1.213986 0.188906 0.828598 0.027*
C24 1.39074 (16) 0.06429 (17) 0.87995 (13) 0.0270 (4)
H24 1.372821 0.000531 0.937408 0.032*
C25 1.51253 (16) 0.04430 (18) 0.86218 (13) 0.0273 (4)
H25 1.574780 −0.032564 0.907811 0.033*
C26 1.54343 (15) 0.13401 (16) 0.77984 (13) 0.0227 (3)
H26 1.625541 0.120970 0.768693 0.027*
C27 1.44938 (14) 0.24466 (15) 0.71358 (12) 0.0175 (3)
C28 1.34159 (14) 0.42881 (15) 0.59467 (12) 0.0182 (3)
H28 1.318222 0.509705 0.536059 0.022*
C29 0.17876 (14) 0.97187 (15) 0.70556 (12) 0.0170 (3)
C30 0.18701 (14) 0.85198 (15) 0.80137 (11) 0.0154 (3)
C31 0.30275 (14) 0.76766 (16) 0.84478 (12) 0.0209 (3)
H31 0.368630 0.787308 0.812064 0.025*
C32 0.32578 (15) 0.65464 (16) 0.93515 (13) 0.0212 (3)
H32 0.405990 0.599157 0.963995 0.025*
C33 0.23167 (15) 0.62444 (15) 0.98186 (12) 0.0188 (3)
C34 0.11092 (14) 0.70866 (15) 0.94217 (11) 0.0166 (3)
C35 0.08566 (14) 0.82631 (14) 0.85069 (11) 0.0148 (3)
C36 0.01533 (15) 0.67568 (16) 0.99367 (12) 0.0210 (3)
C37 −0.10299 (16) 0.75960 (18) 0.95996 (13) 0.0265 (4)
H37 −0.166925 0.738129 0.995851 0.032*
C38 −0.12917 (15) 0.87635 (17) 0.87299 (13) 0.0243 (3)
H38 −0.211584 0.934920 0.851856 0.029*
C39 −0.03855 (14) 0.90941 (15) 0.81655 (12) 0.0172 (3)
C40 −0.08264 (13) 1.03079 (15) 0.71613 (12) 0.0170 (3)
C41 0.04162 (17) 0.55059 (17) 1.08325 (13) 0.0276 (4)
C42 0.25848 (16) 0.50011 (16) 1.07230 (13) 0.0246 (4)
Mn1 0.29453 (2) 0.80915 (2) 0.56406 (2) 0.01468 (8)
N1 0.35552 (11) 0.95020 (12) 0.43352 (10) 0.0158 (3)
N2 0.49429 (11) 0.73061 (12) 0.58049 (10) 0.0152 (3)
N3 0.36087 (12) 0.61288 (13) 0.70241 (10) 0.0166 (3)
N4 1.26014 (11) 0.38371 (12) 0.65354 (10) 0.0169 (3)
N5 1.45487 (12) 0.34989 (13) 0.62675 (10) 0.0191 (3)
O1W 0.31244 (10) 0.71768 (10) 0.45505 (8) 0.0180 (2)
H1WA 0.264634 0.775209 0.400678 0.027*
H1WB 0.385146 0.696325 0.430482 0.027*
O1 0.23290 (10) 0.95302 (11) 0.62611 (8) 0.0198 (2)
O2W 0.11053 (10) 0.83413 (10) 0.56663 (8) 0.0181 (2)
H2WA 0.064860 0.886830 0.596045 0.027*
H2WB 0.081048 0.873871 0.503208 0.027*
O2 0.12934 (12) 1.07665 (11) 0.71403 (9) 0.0257 (3)
O3 −0.03961 (10) 1.01641 (11) 0.63370 (8) 0.0212 (2)
O3W 0.08445 (16) 1.07305 (19) 0.91338 (12) 0.0515 (4)
H3WA 0.099073 1.068205 0.853217 0.077*
H3WB 0.005729 1.113478 0.913978 0.077*
O4 −0.16537 (10) 1.13257 (11) 0.72126 (9) 0.0236 (3)
O4W −0.1811 (2) 1.1763 (2) 0.90384 (18) 0.0769 (7)
H4WA −0.167306 1.171801 0.843562 0.115*
H4WB −0.220129 1.129273 0.936976 0.115*
O5 0.35812 (13) 0.42007 (12) 1.10932 (10) 0.0351 (3)
O6 0.16235 (12) 0.47052 (12) 1.11754 (10) 0.0316 (3)
O7 −0.03107 (14) 0.51016 (14) 1.12796 (11) 0.0411 (3)

1 Source of material

The reagents were purchased from standard commercial sources and used without further purification. A mixture of MnCO3 (0.011 g, 0.10 mmol), 1,4,5,8-naphthalenetetracarboxylic acid (contains monoanhydride) (0.030 g, 0.10 mmol), and 2262-phimphtpy (0.043 g, 0.10 mmol) was dispersed in mixed solvent of H2O (4 mL) and C2H5OH (4 mL) solutions in a 16 mL Teflon-lined stainless steel autoclave, which was heated for 3 d at 413 K under autogenous pressure and slowly cooled to room temperature. Yellow block crystals were obtained.

2 Experimental details

The structure was solved with the Shelxt-2018 program. All H-atoms from C atoms were positioned with idealized geometry and refined isotropically (Uiso(H) = 1.2Ueq(C)) using a riding model with C–H = 0.93 and 0.97 Å.

3 Comment

2,2′:6′,2″-Terpyridine (tpy) as a building unit with its large π conjugation, has received great interest in the realm of metal-organic frameworks (MOFs) [5], [6], [7], [8], [9], [10], [11], [12]. By using a grafting strategy [13], 4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″ terpyridine(2262-phimphtpy) has been designed and synthesized with a combination of benzimidazole and terpyridine functional groups. A discrete neutral mononuclear Mn(II) complex was obtained successfully along with naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride (ntdda2−) [14, 15] and its structure has been determined. To the best of our knowledge, it is the first report of the first Mn(II) complex coordinated with the ntdda2− anion.

The Ortep diagram is presented in the left part of the figure. The asymmetric unit contains one Mn(II) ion, one phimphtpy ligand, and one ntdda2− anion. As shown in the left part of the figure, Mn1 is coordinated by three pyridine nitrogen atoms (Mn1–N, 2.2185(13)–2.2779(13) Å) from one phimphtpy ligand, one oxygen atom from one ntdda2− anion and two oxygen atoms from two coordinated water molecules showing a distorted octahedral geometry with N1, N2, N3 and O2W in the equatorial plane and O1 and O1W in axial positions. Mn(II) to O/N distances and bond angles are within the normal ranges and similar to that of previously reported complexes [16, 17].

The supramolecular association of the molecules in the title complex is essentially based on hydrogen bonds between the water molecules as donors and the diverse oxygen atoms from water molecules and ntdda2− anion and nitrogen atoms from benzimidazole as acceptors. One-dimensional (1D) chains are formed through seven kinds of hydrogen bonds with the distances of H atoms and acceptors between 1.80 Å and 2.09 Å as shown in the right part of the figure. The 3D structure is obtained through these 1D chains which are linked by weak hydrogen bond O4W–H4WB···O3W with the distance of H atom and acceptor 2.55 Å and six kinds of π–π interactions between aromatic benzene, pyridine and imidazole rings with Cg–Cg (the aromatic rings center was defined as Cg) distances between 3.44 Å and 3.90 Å.

Corresponding author: Weiwei Fu, Key Laboratory of Functional Metal-Organic Compounds of Hunan Province, Key Laboratory of Organometallic New Materials, College of Hunan Province, Hunan Provincial Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of Xiangjiang River, College of Chemistry and Materials Science, Hengyang Normal University, Hengyang, Hunan 421008, P.R. China, E-mail:

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was supported by the 2022 Innovation and Entrepreneurship Training Program for Hengyang Normal University students (No. cxcy2022033), and the Innovation Platform Open Fund Project of Hunan Provincial Education Department of China (No. 20K016).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2023-06-13
Accepted: 2023-07-27
Published Online: 2023-08-09
Published in Print: 2023-10-26

© 2023 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  33. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8
  34. The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
  35. The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
  36. Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4
  37. The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3
  38. Crystal structure of bis(μ2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)-(nitrato-κ2O,O′)dicobalt(II), C36H32Co2N8O4
  39. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2
  40. The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
  41. Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9
  42. Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O
  43. The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
  44. Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2
  45. The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4
  46. Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l2-germenediamine, C63H94B2GeN8
  47. The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
  48. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
  49. The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16
  50. Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ1N)cobalt(II)] tetrahydrate, C26H32CoN2O16
  51. Crystal structure of bis(μ2-azido-κ2N:N)-tetrakis(azido-κ1N)-tetrakis(1,10-phenanthroline-κ2N,N′)dibismuth(III), C48H32N26Bi2
  52. Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
  53. Crystal structure of poly[diaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-bis(μ2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
  54. Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2
  55. Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2N,C)-[(methylsulfinyl)methane-κ1S]platinum(II), C13H13ClN2O3PtS
  56. The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9
  57. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)
  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
  60. Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
  61. Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  62. Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2
https://doi.org/10.1515/ncrs-2023-0281
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ4N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
  4. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti
  5. N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
  6. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O
  7. Crystal structure of dipyridine-k1N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2O,O′)dysprosium(III), DyC43H67O6N2
  8. Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k2N:N}dicadmiun(II)], C26H30N10Cd2I4
  9. The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
  10. The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
  11. Crystal structure of (μ2-1-(4,4′-bipyridine-κ2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12
  12. The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
  13. (E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1
  14. The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
  15. Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O
  16. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
  17. Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br
  18. Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
  19. The crystal structure of nitroterephthalic acid, C8H5NO6
  20. Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
  21. Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18
  22. The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
  23. The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
  24. The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ3N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
  25. Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2
  26. Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2
  27. The crystal structure of (4-hydroxybenzenesulfonate)-k1O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2N,N,μ2O,O,κ2O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
  28. Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O
  29. Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ2N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2
  30. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2
  31. Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C15H16N4O
  32. The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3
  33. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8
  34. The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
  35. The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
  36. Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4
  37. The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3
  38. Crystal structure of bis(μ2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)-(nitrato-κ2O,O′)dicobalt(II), C36H32Co2N8O4
  39. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2
  40. The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
  41. Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9
  42. Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O
  43. The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
  44. Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2
  45. The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4
  46. Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l2-germenediamine, C63H94B2GeN8
  47. The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
  48. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
  49. The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16
  50. Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ1N)cobalt(II)] tetrahydrate, C26H32CoN2O16
  51. Crystal structure of bis(μ2-azido-κ2N:N)-tetrakis(azido-κ1N)-tetrakis(1,10-phenanthroline-κ2N,N′)dibismuth(III), C48H32N26Bi2
  52. Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
  53. Crystal structure of poly[diaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-bis(μ2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
  54. Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2
  55. Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2N,C)-[(methylsulfinyl)methane-κ1S]platinum(II), C13H13ClN2O3PtS
  56. The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9
  57. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)
  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
  60. Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
  61. Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  62. Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2
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