Startseite Crystal structure of (R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl) methyl)-4-fluorobenzonitrile benzoate monohydrate, C24H27FN6O4
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Crystal structure of (R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl) methyl)-4-fluorobenzonitrile benzoate monohydrate, C24H27FN6O4

  • Xu Wen-Jie , Li Song ORCID logo EMAIL logo und Li Qin-Ze
Veröffentlicht/Copyright: 16. Oktober 2024
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 239 Heft 6

Abstract

C24H27FN6O4, monoclinic, C2 (no. 5), a = 19.7270(4) Å, b = 6.4057(2) Å, c = 36.3058(8) Å, β = 94.602(2)°, V = 4573.0(2) Å3, Z = 8, Rgt (F) = 0.0625, wRref (F 2) = 0.1565, T = 100 K.

CCDC no.: 2375470

A part of 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.

Table 1:

Data collection and handling.

Crystal: Colourless prism
Size: 0.15 × 0.05 × 0.04 mm
Wavelength: Cu Kα radiation (1.54178 Å)
μ: 0.86 mm−1
Diffractometer, scan mode: SuperNova, ω
θ max, completeness: 65.0°, >99 %
N(hkl)measured, N(hkl)unique, R int: 20198, 7780, 0.097
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 6,155
N(param)refined: 644
Programs: SHELX 1 , 2
Table 2:

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

Atom x y z U iso*/U eq
F1 0.79470 (17) 0.2212 (7) 0.74527 (10) 0.0353 (9)
O1 0.56100 (19) 0.6276 (7) 0.71070 (10) 0.0235 (9)
N1 0.5764 (2) 0.6425 (8) 0.64925 (12) 0.0174 (9)
N2 0.5285 (2) 0.9239 (8) 0.61357 (12) 0.0204 (10)
N3 0.5184 (2) 1.0313 (8) 0.64570 (13) 0.0209 (10)
N4 0.5785 (2) 0.6434 (8) 0.58474 (12) 0.0182 (9)
N5 0.6666 (2) 0.7837 (8) 0.50136 (12) 0.0187 (9)
H5A 0.6923 0.8896 0.5117 0.022*
H5B 0.6303 0.8375 0.4875 0.022*
H5C 0.6922 0.7061 0.4867 0.022*
N6 0.6855 (2) 0.9966 (9) 0.63322 (15) 0.0278 (11)
C1 0.5587 (2) 0.7429 (8) 0.61588 (15) 0.0168 (11)
C2 0.5296 (3) 0.9392 (9) 0.67750 (15) 0.0202 (11)
C3 0.5547 (2) 0.7259 (10) 0.68174 (14) 0.0187 (11)
C4 0.5191 (3) 1.0581 (10) 0.71241 (16) 0.0250 (12)
H4A 0.5121 1.2063 0.7065 0.037*
H4B 0.5593 1.0423 0.7299 0.037*
H4C 0.4791 1.0031 0.7235 0.037*
C5 0.5969 (3) 0.7770 (8) 0.55431 (14) 0.0186 (11)
H5D 0.6215 0.9026 0.5641 0.022*
H5E 0.5556 0.8225 0.5392 0.022*
C6 0.6422 (3) 0.6487 (9) 0.53112 (14) 0.0194 (11)
H6 0.6827 0.6018 0.5474 0.023*
C7 0.6058 (3) 0.4578 (9) 0.51555 (15) 0.0221 (12)
H7A 0.6369 0.3737 0.5014 0.026*
H7B 0.5665 0.5002 0.4985 0.026*
C8 0.5810 (3) 0.3271 (9) 0.54709 (16) 0.0229 (12)
H8A 0.5525 0.2111 0.5366 0.028*
H8B 0.6208 0.2654 0.5615 0.028*
C9 0.5401 (3) 0.4553 (9) 0.57274 (15) 0.0208 (12)
H9A 0.4961 0.4959 0.5597 0.025*
H9B 0.5307 0.3706 0.5946 0.025*
C10 0.6225 (3) 0.4613 (9) 0.65253 (15) 0.0191 (11)
H10A 0.6359 0.4232 0.6277 0.023*
H10B 0.5981 0.3409 0.6623 0.023*
C11 0.6861 (3) 0.5060 (10) 0.67793 (15) 0.0199 (11)
C12 0.7231 (3) 0.6900 (9) 0.67631 (15) 0.0211 (12)
C13 0.7829 (3) 0.7186 (10) 0.69921 (16) 0.0255 (13)
H13 0.8066 0.8474 0.6987 0.031*
C14 0.8077 (3) 0.5613 (10) 0.72258 (16) 0.0265 (14)
H14 0.8487 0.5785 0.7379 0.032*
C15 0.7711 (3) 0.3799 (11) 0.72299 (16) 0.0255 (13)
C16 0.7111 (3) 0.3477 (9) 0.70156 (15) 0.0205 (12)
H16 0.6872 0.2196 0.7029 0.025*
C17 0.7023 (3) 0.8581 (9) 0.65194 (16) 0.0225 (12)
F2 0.68405 (18) 0.9308 (7) 0.76107 (10) 0.0382 (9)
O2 0.9152 (2) 0.5351 (7) 0.79227 (11) 0.0283 (10)
N7 0.8999 (2) 0.4828 (8) 0.85317 (13) 0.0233 (10)
N8 0.9496 (2) 0.1857 (9) 0.88328 (15) 0.0314 (12)
N9 0.9585 (3) 0.0978 (9) 0.84931 (16) 0.0332 (13)
N10 0.9030 (2) 0.4457 (9) 0.91788 (14) 0.0269 (11)
N11 0.7908 (2) 0.3944 (9) 0.97124 (13) 0.0270 (11)
H11A 0.7708 0.4255 0.9923 0.032*
H11B 0.7736 0.2721 0.9618 0.032*
H11C 0.7822 0.4984 0.9544 0.032*
N12 0.7893 (3) 0.1421 (9) 0.87114 (17) 0.0350 (13)
C18 0.9197 (3) 0.3667 (10) 0.88432 (17) 0.0259 (13)
C19 0.9466 (3) 0.2060 (11) 0.81929 (17) 0.0288 (13)
C20 0.9210 (3) 0.4204 (10) 0.81928 (16) 0.0237 (12)
C21 0.9579 (3) 0.1079 (11) 0.78277 (19) 0.0322 (14)
H21A 0.9973 0.1729 0.7726 0.048*
H21B 0.9175 0.1287 0.7656 0.048*
H21C 0.9662 −0.0419 0.7862 0.048*
C22 0.9005 (3) 0.2874 (12) 0.94707 (18) 0.0331 (14)
H22A 0.9473 0.2422 0.9552 0.040*
H22B 0.8750 0.1639 0.9371 0.040*
C23 0.8663 (3) 0.3731 (12) 0.97984 (16) 0.0319 (15)
H23 0.8739 0.2703 1.0005 0.038*
C24 0.8973 (3) 0.5792 (13) 0.99318 (18) 0.0381 (17)
H24A 0.9427 0.5523 1.0060 0.046*
H24B 0.8684 0.6415 1.0114 0.046*
C25 0.9048 (3) 0.7360 (12) 0.96192 (19) 0.0366 (16)
H25A 0.8593 0.7862 0.9524 0.044*
H25B 0.9315 0.8578 0.9716 0.044*
C26 0.9401 (3) 0.6368 (12) 0.93080 (17) 0.0311 (14)
H26A 0.9415 0.7368 0.9101 0.037*
H26B 0.9875 0.6006 0.9396 0.037*
C27 0.8534 (3) 0.6642 (10) 0.85332 (16) 0.0231 (12)
H27A 0.8774 0.7904 0.8455 0.028*
H27B 0.8404 0.6878 0.8788 0.028*
C28 0.7902 (3) 0.6312 (10) 0.82787 (16) 0.0234 (12)
C29 0.7512 (3) 0.4517 (10) 0.82854 (16) 0.0243 (12)
C30 0.6911 (3) 0.4291 (11) 0.80562 (17) 0.0282 (13)
H30 0.6660 0.3025 0.8057 0.034*
C31 0.6684 (3) 0.5917 (11) 0.78286 (17) 0.0306 (15)
H31 0.6272 0.5803 0.7675 0.037*
C32 0.7067 (3) 0.7688 (11) 0.78297 (17) 0.0284 (14)
C33 0.7672 (3) 0.7938 (10) 0.80455 (16) 0.0250 (12)
H33 0.7927 0.9192 0.8035 0.030*
C34 0.7724 (3) 0.2812 (10) 0.85291 (17) 0.0267 (13)
O5Aa 0.7356 (8) 0.697 (2) 0.9246 (4) 0.037 (3)
O5a 0.7092 (6) 0.689 (3) 0.9343 (4) 0.031 (3)
O6 0.7394 (2) 0.9971 (7) 0.95724 (11) 0.0270 (9)
C42 0.7115 (3) 0.8809 (11) 0.93235 (17) 0.0324 (15)
C43 0.6614 (3) 0.9792 (11) 0.90366 (17) 0.0276 (13)
C44 0.6378 (3) 0.8635 (12) 0.87290 (17) 0.0307 (15)
H44 0.6532 0.7243 0.8701 0.037*
C45 0.5918 (3) 0.9495 (13) 0.84621 (18) 0.0385 (18)
H45 0.5771 0.8709 0.8249 0.046*
C46 0.5676 (3) 1.1466 (13) 0.8506 (2) 0.0409 (18)
H46 0.5352 1.2039 0.8326 0.049*
C47 0.5902 (3) 1.2619 (13) 0.8809 (2) 0.0383 (17)
H47 0.5733 1.3993 0.8839 0.046*
C48 0.6374 (3) 1.1799 (12) 0.90740 (18) 0.0321 (15)
H48 0.6533 1.2619 0.9281 0.039*
O3 0.75915 (18) 1.0244 (6) 0.54135 (10) 0.0210 (8)
O4 0.80815 (19) 0.7205 (7) 0.55702 (11) 0.0255 (9)
C35 0.7981 (3) 0.9073 (9) 0.56232 (14) 0.0177 (11)
C36 0.8332 (3) 1.0138 (9) 0.59578 (15) 0.0181 (11)
C37 0.8180 (3) 1.2164 (10) 0.60424 (16) 0.0243 (12)
H37 0.7881 1.2950 0.5878 0.029*
C38 0.8462 (3) 1.3079 (10) 0.63690 (17) 0.0260 (13)
H38 0.8360 1.4490 0.6424 0.031*
C39 0.8888 (3) 1.1930 (11) 0.66130 (16) 0.0269 (13)
H39 0.9058 1.2521 0.6842 0.032*
C40 0.9066 (3) 0.9917 (11) 0.65223 (16) 0.0269 (13)
H40 0.9381 0.9153 0.6682 0.032*
C41 0.8782 (3) 0.9008 (9) 0.61963 (15) 0.0203 (11)
H41 0.8895 0.7614 0.6137 0.024*
O1W 0.42813 (19) 1.0158 (7) 0.54708 (11) 0.0254 (9)
H1C 0.4521 0.9960 0.5673 0.038*
H1D 0.3931 1.0801 0.5533 0.038*
O2W 0.5643 (4) 0.5946 (14) 0.9474 (2) 0.084 (2)
H2C 0.6042 0.6243 0.9418 0.125*
H2D 0.5363 0.6221 0.9290 0.125*

  1. aOccupancy: 0.5.

1 Source of materials

The title compound was added to isopropyl acetate, stirred for half an hour to form a saturated solution, then filtered and allowed to evaporate at room temperature to yield colorless prism crystals. The NMR spectra were acquired on a Bruker Avance III HD 400 MHz spectrometer. X-ray powder diffraction (XRD) intensities were measured at 293 K on a empyrean/Bragg-BrentanoHD diffractometer (CuKα, λ = 1.54056 Å). 1 H NMR (400 MHz, DMSO, ppm): δ 7.96 (m, 1H), 7.36 (br, 1H), 7.29 (d, 1H), 5.23 (s, 2H), 3.15 (m, 3H), 2.72 (m, 2H), 2.23 (s, 3H), 1.78 (d, 1H), 1.64 (d, 1H), 1.47 (m, 1H), 1.12 (m, 1H). PXRD: θ = 8.87, 9.74, 12.58, 14.54, 18.87, 19.51, 20.13, 20.77, 22.13, 23.35, 24.08, 25.36, 26.74, 27.83, 29.53, 30.38, 31.75, 33.25°.

2 Experimental details

The diffraction data obtained were processed using the SHELXT software 1 to solve the crystal structure. This structure was further refined using full-matrix least-squares procedures in SHELXL. 2 Anisotropic refinement was applied to non-hydrogen atoms, while hydrogen atoms were refined isotropically.

3 Comment

Diabetes is a chronic disease where prolonged hyperglycemia can cause damage to various organs of the body, leading to various complications. Therefore, controlling blood glucose levels is the primary goal of diabetes treatment. 3 The title compound belongs to the class of DPP-IV inhibitors, used for the treatment of type II diabetes. Inhibition of DPP-IV in the body can increase the levels of endogenous GLP 1(7–36) and reduce the production of its antagonist GLP 1(9–36). Thus, DPP-IV inhibitors may be effective against diseases associated with DPP-IV activity, such as type II diabetes, diabetic dyslipidemia, impaired glucose tolerance (IGT), impaired fasting plasma glucose (IFG), metabolic acidosis, ketosis, appetite regulation, and obesity. 4 , 5 , 6 DPP-IV inhibitors are currently considered a new approach for the treatment of type 2 diabetes. 7 , 8

The X-ray structural analysis of the compound reveals that the asymmetric unit contains two ((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl)-4-fluorobenzonitrile cations and two benzoic acid anions and two water molecules. This cation can be seen as an aminopiperidinyl group and a 4-fluoro-2-methylbenzonitrile group (with a dihedral angle of approximately 86.6°) connected to the adjacent positions of an oxo-1,2,4-triazinyl group. The pKa value of benzoic acid is 3.9, and another component’s pKa value is 8.6, indicating that both are prone to forming salt compound. In the infrared spectrum, the stretching vibrations at 3,056 cm−1 and 2,624 cm−1, as well as the deformation vibration at 1,592 cm−1, can be attributed to the –NH3 + groups. As shown in figure (below), along the crystallographic b direction, the two main components of the compound form one-dimensional ribbon-like supramolecule chains relying on the abundant hydrogen bonds between their amino groups and carboxyl groups (N⋯O = 2.719–2.789 Å). Hydrogen bonds between the carboxyl/triazinyl groups and the surrounding guest water molecules (O⋯O = 2.755–2.996 Å and O⋯N = 2.876–3.169 Å) play a role in stabilizing the parallel packing of these one-dimensional chains.

Corresponding author: Li Song, Shenzhen Salubris Pharmaceuticals Co., Ltd, Shenzhen 518118, P.R. China; and Guangdong Provincial Key Laboratory of Cardiovascular Drug Research and Development, Shenzhen 518118, 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. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2024-08-04
Accepted: 2024-10-04
Published Online: 2024-10-16
Published in Print: 2024-12-17

© 2024 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

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of 3-nitrophenol-2,1,3-benzoselenadiazole (1/1), C12H9N3O3Se
  4. Crystal structure of diaqua-(hydroxido)-{μ-[2-(hydroxy)-5-[(4-nitrophenyl)diazenyl]benzoato]}-{2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoato}-(1,10-phenanthroline)-diterbium hydrate, C38H27.4N8O12.2Tb
  5. Crystal structure of poly[bis(μ3-3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoato-κ3 O:O′:N)cadmium(II)] – dimethylformamide (1/1), C21H17CdF2N7O5
  6. The crystal structure of 2-amino-N-(pyridin-2-yl)benzamide, C12H11N3O
  7. The crystal structure of 2,3-di(pyridin-2-yl)-2,3-dihydroquinazolin-4(1H)-one, C18H14N4O
  8. Crystal structure of 2-chloro-4-fluorobenzyl (R)-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18ClFO3
  9. Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid]-(methylsulfinyl)methane, C15H16N2O6S
  10. The crystal structure of 2-ethyl-1,1-dimethyl-1H-benzo[e]indole, C16H17N
  11. The crystal structure of (Z)-5-amino-N ′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  12. The crystal structure of 2,2,5-trimethyl-3-(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)phenyl)imidazolidin-4-one, C24H24N4O2S
  13. The crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis[(4′-phenyl-4,2′:6′,4″-terpyridine-κ1 N)dicopper(II)], C25H21CuN3O4
  14. Crystal structure of poly(3-thiophenecarboxylato-κ 3 O,O′:O′)-(methanol-κO)cadmium(II), C11H10O5S2Cd
  15. The crystal structure of dichloridobis[4′-(p-methoxylphenyl)-4,2′:6′,4″-terpyridine-κN] zinc(II), C44H34Cl2N6O2Zn
  16. The crystal structure of 1-(2-carboxyethyl)-1H-imidazole 3-oxide
  17. Crystal structure of 1,1′,1″-(nitrilotris(ethane-2,1-diyl))tris(3-(4-(((E)-pyridin-2-ylmethylene)amino)phenyl)urea), C45H47N13O4
  18. Crystal structure of a (E)-4-bromo-N-(4-(diethylamino)-2-hydroxybenzylidene) benzenaminium acetate ─ 4-bromoaniline (1/1)
  19. Crystal structure of 2,2′-(iminobis(methylene))bis(benzimidazolium) bis(p-toluenesulfonate), C30H31N5O6S2
  20. The crystal structure of alogliptinium meta-chlorobenzoate
  21. Crystal structure of 4-bromobenzyl 2-(6-methoxy-naphthalen-2-yl)propanoate, C21H19BrO3
  22. The hydrated double salt structure of (E)-4-(2-benzylidenehydrazine-1-carbonyl)pyridin-1-ium cation with 2-hydroxybenzoate and benzoate anions
  23. Crystal structure of (R)(R)-5-chloro-3-((S,1E,3E)-3,5-dimethyl-hepta-1,3-dien-1-yl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate, C21H24ClNO4
  24. The crystal structure of bis(3-oxo-1,3-diphenylprop-1-en-1-olato-κ 2 O:O′)-bis(1,4-dioxane-κ 1 O)nickel(II), C38H38O8Ni
  25. Crystal structure of poly[aqua-(pyridine-3-carboxylato-κ1 N)(pyridine-3-carboxylato-κ2 O,O′) cadmium(II)] dihydrate, C12H14N2O7Cd
  26. The crystal structure of 4-(4-phenyl-5-(((1-(2,4,6-tribromophenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, C22H14Br3N7S
  27. The crystal structure of N-benzylquinoline-2-carbothioamide, C17H14N2S
  28. Crystal structure of bis(3-isopropylphenyl)-4,4′-bipyridinium dichloride dihydrate, C28H30N2⋅2Cl⋅2H2O
  29. The crystal structure of ethyl 2-amino-4-(cyanophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C19H18N2O4
  30. Crystal structure of (4R,10S)-6-hydroxy-7-isopropyl-4,10-dimethyl-1,2,3,5-hexahydro-6,10-epoxyazulen-9-one, C15H22O3
  31. The crystal structure of (E)-(2-(2-hydroxy-3-methoxybenzylidene)aminophenyl)arsonic acid, C14H14AsNO5
  32. The crystal structure of poly[(μ 2-2-aminoisophthalato-κ4O,O′:O″:O″′)-(N-methylpyrrolidone κ1O)-dioxido-uranium(VI)], C13H14N2O7U
  33. The crystal structure of the co-crystal isonicotinamide · terephthalic acid, C8H6O4·2(C6H6N2O)
  34. The crystal structure of (E)-1-phenyl-3-(p-tolylthio)but-2-en-1-one, C17H16OS
  35. The crystal structure of 4,5-bis((Z)-chloro(hydroxyimino)methyl)-1H-imidazol-3-ium chloride monohydrate
  36. The crystal structure of 1,2-bis(4-(dimethylamino)phenyl)ethane-1,2-dione. C18H20N2O2
  37. Crystal structure of 2-chloro-4-fluorobenzyl 2-acetoxybenzoate, C16H12ClFO4
  38. Crystal structure of methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate, C19H14N2O2
  39. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl)(5-fluoro-2-iodophenyl)methanone, C19H17FINO4
  40. Crystal structure of tetrachlorido-bis(1-[(1H-triazole-1-yl)methyl]-1H-benzotriazole-κ2 N:N′)dicopper, C36H32Cu2N24Cl4
  41. Crystal structure of 2-(2,3-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)anilin, C30H24N4O2
  42. Crystal structure of 5,7-dihydroxy-2-phenyl-4H-chromen-4-one–N,N-dimethylformamide(1/1), C18H17NO5
  43. The crystal structure of bis(μ 2-biphenyl-2,2′-dicarboxylato)-diaqua-bis(nitrato)-bis(2,2′:6′,2′′-terpyridine)dineodymium(III), C46H32I2N8Nd2O16
  44. Crystal structure of (Z)-4-amino-N ′-((4-chlorophenyl)(phenyl)methylene)benzohydrazide, C20H16ClN3O
  45. Crystal structure of (E)-6,8-dimethoxy-4-(4-morpholinobenzylidene)-3,4-dihydro-1-benzoxepin-5(2H)-one, C23H25NO5
  46. Crystal structure of (R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl) methyl)-4-fluorobenzonitrile benzoate monohydrate, C24H27FN6O4
  47. The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylato-κ 3 N,O,O)copper(II)]monohydrate, C12H15NO9Cu
  48. Crystal structure of (((4-chlorophenyl)sulfonyl)glycinato-κ 2 N,O)bis(1,10-phenanthroline-κ 2 N,N′)cobalt(II) tetrahydrate, C32H30ClCoN5O8S
  49. Crystal structure of (((3-nitrophenyl)sulfonyl)-β-alaninato-κO)bis(2,2′-bipyridine-κ 2 N, N′)copper(II) 3-nitrobenzenesulfonate, C35H29CuN7O11S2
  50. Crystal structure of 3-phenoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C27H24O4
  51. 6-(2′,3′-Dihydroxy-3′-methylbutyl)-7-methoxy-8-(3″-methylbut-2″-en-1″-yl)-2H-chromen-2-one, C20H26O5
  52. Crystal structure of bromido-(2,2′:6′,2″-terpyridine-4′-onato-κ3N)palladium(II) methanol solvate
  53. The crystal structure of ethyl 2-amino-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H22N2O6
  54. Crystal structure of (1E,3E,5E)-1,6-bis(4-(pentyloxy)phenyl)hexa-1,3,5-triene, C28H36O2
  55. The crystal structure of tris(2-bromo-4-methylphenyl)amine, C21H18Br3N
  56. The crystal structure of 3-(2,5-dimethylanilino)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrrole-2,5-dione, C21H22N2O2
  57. Crystal structure of dicarbonyl (μ2-indole-2-carboxylato κ2 O:O′)tris(triphenylarsine-κAs)dirhodium(I) acetone solvate, C68H56As3NO5Rh2
  58. The crystal structure of 4-chloro-2-formylphenyl 4-methylbenzenesulfonate, C14H11ClO4S
  59. Crystal structure of 4-iodobenzyl 2-(6-methoxynaphthalen-2-yl) propanoate, C21H19IO3
https://doi.org/10.1515/ncrs-2024-0331
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of 3-nitrophenol-2,1,3-benzoselenadiazole (1/1), C12H9N3O3Se
  4. Crystal structure of diaqua-(hydroxido)-{μ-[2-(hydroxy)-5-[(4-nitrophenyl)diazenyl]benzoato]}-{2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoato}-(1,10-phenanthroline)-diterbium hydrate, C38H27.4N8O12.2Tb
  5. Crystal structure of poly[bis(μ3-3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzoato-κ3 O:O′:N)cadmium(II)] – dimethylformamide (1/1), C21H17CdF2N7O5
  6. The crystal structure of 2-amino-N-(pyridin-2-yl)benzamide, C12H11N3O
  7. The crystal structure of 2,3-di(pyridin-2-yl)-2,3-dihydroquinazolin-4(1H)-one, C18H14N4O
  8. Crystal structure of 2-chloro-4-fluorobenzyl (R)-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18ClFO3
  9. Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid]-(methylsulfinyl)methane, C15H16N2O6S
  10. The crystal structure of 2-ethyl-1,1-dimethyl-1H-benzo[e]indole, C16H17N
  11. The crystal structure of (Z)-5-amino-N ′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  12. The crystal structure of 2,2,5-trimethyl-3-(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)phenyl)imidazolidin-4-one, C24H24N4O2S
  13. The crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis[(4′-phenyl-4,2′:6′,4″-terpyridine-κ1 N)dicopper(II)], C25H21CuN3O4
  14. Crystal structure of poly(3-thiophenecarboxylato-κ 3 O,O′:O′)-(methanol-κO)cadmium(II), C11H10O5S2Cd
  15. The crystal structure of dichloridobis[4′-(p-methoxylphenyl)-4,2′:6′,4″-terpyridine-κN] zinc(II), C44H34Cl2N6O2Zn
  16. The crystal structure of 1-(2-carboxyethyl)-1H-imidazole 3-oxide
  17. Crystal structure of 1,1′,1″-(nitrilotris(ethane-2,1-diyl))tris(3-(4-(((E)-pyridin-2-ylmethylene)amino)phenyl)urea), C45H47N13O4
  18. Crystal structure of a (E)-4-bromo-N-(4-(diethylamino)-2-hydroxybenzylidene) benzenaminium acetate ─ 4-bromoaniline (1/1)
  19. Crystal structure of 2,2′-(iminobis(methylene))bis(benzimidazolium) bis(p-toluenesulfonate), C30H31N5O6S2
  20. The crystal structure of alogliptinium meta-chlorobenzoate
  21. Crystal structure of 4-bromobenzyl 2-(6-methoxy-naphthalen-2-yl)propanoate, C21H19BrO3
  22. The hydrated double salt structure of (E)-4-(2-benzylidenehydrazine-1-carbonyl)pyridin-1-ium cation with 2-hydroxybenzoate and benzoate anions
  23. Crystal structure of (R)(R)-5-chloro-3-((S,1E,3E)-3,5-dimethyl-hepta-1,3-dien-1-yl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate, C21H24ClNO4
  24. The crystal structure of bis(3-oxo-1,3-diphenylprop-1-en-1-olato-κ 2 O:O′)-bis(1,4-dioxane-κ 1 O)nickel(II), C38H38O8Ni
  25. Crystal structure of poly[aqua-(pyridine-3-carboxylato-κ1 N)(pyridine-3-carboxylato-κ2 O,O′) cadmium(II)] dihydrate, C12H14N2O7Cd
  26. The crystal structure of 4-(4-phenyl-5-(((1-(2,4,6-tribromophenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, C22H14Br3N7S
  27. The crystal structure of N-benzylquinoline-2-carbothioamide, C17H14N2S
  28. Crystal structure of bis(3-isopropylphenyl)-4,4′-bipyridinium dichloride dihydrate, C28H30N2⋅2Cl⋅2H2O
  29. The crystal structure of ethyl 2-amino-4-(cyanophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C19H18N2O4
  30. Crystal structure of (4R,10S)-6-hydroxy-7-isopropyl-4,10-dimethyl-1,2,3,5-hexahydro-6,10-epoxyazulen-9-one, C15H22O3
  31. The crystal structure of (E)-(2-(2-hydroxy-3-methoxybenzylidene)aminophenyl)arsonic acid, C14H14AsNO5
  32. The crystal structure of poly[(μ 2-2-aminoisophthalato-κ4O,O′:O″:O″′)-(N-methylpyrrolidone κ1O)-dioxido-uranium(VI)], C13H14N2O7U
  33. The crystal structure of the co-crystal isonicotinamide · terephthalic acid, C8H6O4·2(C6H6N2O)
  34. The crystal structure of (E)-1-phenyl-3-(p-tolylthio)but-2-en-1-one, C17H16OS
  35. The crystal structure of 4,5-bis((Z)-chloro(hydroxyimino)methyl)-1H-imidazol-3-ium chloride monohydrate
  36. The crystal structure of 1,2-bis(4-(dimethylamino)phenyl)ethane-1,2-dione. C18H20N2O2
  37. Crystal structure of 2-chloro-4-fluorobenzyl 2-acetoxybenzoate, C16H12ClFO4
  38. Crystal structure of methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate, C19H14N2O2
  39. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl)(5-fluoro-2-iodophenyl)methanone, C19H17FINO4
  40. Crystal structure of tetrachlorido-bis(1-[(1H-triazole-1-yl)methyl]-1H-benzotriazole-κ2 N:N′)dicopper, C36H32Cu2N24Cl4
  41. Crystal structure of 2-(2,3-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)anilin, C30H24N4O2
  42. Crystal structure of 5,7-dihydroxy-2-phenyl-4H-chromen-4-one–N,N-dimethylformamide(1/1), C18H17NO5
  43. The crystal structure of bis(μ 2-biphenyl-2,2′-dicarboxylato)-diaqua-bis(nitrato)-bis(2,2′:6′,2′′-terpyridine)dineodymium(III), C46H32I2N8Nd2O16
  44. Crystal structure of (Z)-4-amino-N ′-((4-chlorophenyl)(phenyl)methylene)benzohydrazide, C20H16ClN3O
  45. Crystal structure of (E)-6,8-dimethoxy-4-(4-morpholinobenzylidene)-3,4-dihydro-1-benzoxepin-5(2H)-one, C23H25NO5
  46. Crystal structure of (R)-2-((3-(3-aminopiperidin-1-yl)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl) methyl)-4-fluorobenzonitrile benzoate monohydrate, C24H27FN6O4
  47. The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylato-κ 3 N,O,O)copper(II)]monohydrate, C12H15NO9Cu
  48. Crystal structure of (((4-chlorophenyl)sulfonyl)glycinato-κ 2 N,O)bis(1,10-phenanthroline-κ 2 N,N′)cobalt(II) tetrahydrate, C32H30ClCoN5O8S
  49. Crystal structure of (((3-nitrophenyl)sulfonyl)-β-alaninato-κO)bis(2,2′-bipyridine-κ 2 N, N′)copper(II) 3-nitrobenzenesulfonate, C35H29CuN7O11S2
  50. Crystal structure of 3-phenoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C27H24O4
  51. 6-(2′,3′-Dihydroxy-3′-methylbutyl)-7-methoxy-8-(3″-methylbut-2″-en-1″-yl)-2H-chromen-2-one, C20H26O5
  52. Crystal structure of bromido-(2,2′:6′,2″-terpyridine-4′-onato-κ3N)palladium(II) methanol solvate
  53. The crystal structure of ethyl 2-amino-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H22N2O6
  54. Crystal structure of (1E,3E,5E)-1,6-bis(4-(pentyloxy)phenyl)hexa-1,3,5-triene, C28H36O2
  55. The crystal structure of tris(2-bromo-4-methylphenyl)amine, C21H18Br3N
  56. The crystal structure of 3-(2,5-dimethylanilino)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrrole-2,5-dione, C21H22N2O2
  57. Crystal structure of dicarbonyl (μ2-indole-2-carboxylato κ2 O:O′)tris(triphenylarsine-κAs)dirhodium(I) acetone solvate, C68H56As3NO5Rh2
  58. The crystal structure of 4-chloro-2-formylphenyl 4-methylbenzenesulfonate, C14H11ClO4S
  59. Crystal structure of 4-iodobenzyl 2-(6-methoxynaphthalen-2-yl) propanoate, C21H19IO3
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Heruntergeladen am 6.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2024-0331/html
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