Home Physical Sciences Crystal structure of poly[(μ4-(3-amino-1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ 4 N:O:O':O')(1-methylpyrroldin-2-one-κ1O)dicopper(II)] – 1-methylpyrroldin-2-one (1/3), C40H48Cu2N12O12
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Crystal structure of poly[(μ4-(3-amino-1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ 4 N:O:O':O')(1-methylpyrroldin-2-one-κ1O)dicopper(II)] – 1-methylpyrroldin-2-one (1/3), C40H48Cu2N12O12

  • Yu-Pei Xia ORCID logo EMAIL logo and Yu-Xin Huang
Published/Copyright: July 23, 2024
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 239 Issue 5

Abstract

C40H48Cu2N12O12, monoclinic, P21/n (no. 14), a = 10.9519(1) Å, b = 17.4351(2) Å, c = 24.4288(3) Å, β = 102.143(1)°, V = 4560.25(9) Å3, Z = 4, Rgt(F) = 0.0647, wRref(F2) = 0.1904, T = 120 K.

CCDC no.: 2325277

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: Blue block
Size: 0.26 × 0.22 × 0.04 mm
Wavelength: Cu Kα radiation (1.54184 Å)
μ: 1.78 mm−1
Diffractometer, scan mode: Bruker SMART CCD 6000, φ and ω
θmax, completeness: 68.2°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 28,368, 8311, 0.023
Criterion for Iobs, N(hkl)gt: Iobs > 2σ(Iobs), 7622
N(param)refined: 656
Programs: Bruker [1], Olex2 [2], SHELX [3], [4]
Table 2:

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

Atom x y z Uiso*/Ueq
Cu1 −0.38778 (4) 0.54794 (2) 0.52401 (2) 0.01653 (16)
Cu2 0.51734 (5) 0.93450 (3) 0.66025 (2) 0.03025 (18)
O1 1.0514 (3) 0.89476 (17) 0.95136 (13) 0.0448 (7)
O2 0.8909 (3) 0.96950 (17) 0.91477 (12) 0.0447 (7)
O3 0.6404 (3) 0.91395 (17) 0.72876 (14) 0.0515 (8)
O4 0.6793 (4) 0.8115 (2) 0.68238 (17) 0.0823 (15)
O5 0.2298 (3) 0.88405 (17) 0.65550 (15) 0.0507 (8)
O6 0.4054 (3) 0.85697 (17) 0.62653 (15) 0.0503 (8)
O7 0.4718 (2) 0.60520 (16) 0.55220 (14) 0.0424 (7)
O8 0.3080 (2) 0.53242 (17) 0.51722 (14) 0.0427 (7)
O9 0.6190 (5) 0.9572 (3) 0.6030 (2) 0.0833 (13)
N1 1.0094 (3) 0.66584 (19) 0.82380 (16) 0.0439 (9)
N2 1.1337 (3) 0.6573 (2) 0.84648 (18) 0.0494 (9)
N3 1.0380 (3) 0.54281 (18) 0.82897 (17) 0.0428 (9)
N4 1.2563 (4) 0.5457 (3) 0.8683 (3) 0.085 (2)
H4A 1.282740 0.558833 0.903032 0.102*
H4B 1.244444 0.496450 0.866833 0.102*
N5 −0.0510 (3) 0.65666 (18) 0.58279 (14) 0.0331 (7)
N6 −0.1131 (3) 0.6865 (2) 0.62208 (16) 0.0448 (9)
H6 −0.084863 0.718156 0.649899 0.054*
N7 −0.2373 (3) 0.60899 (17) 0.56077 (13) 0.0287 (6)
N8 −0.3181 (3) 0.6658 (2) 0.63452 (18) 0.0525 (11)
H8A −0.306332 0.695206 0.664474 0.063*
H8B −0.390783 0.643419 0.622497 0.063*
N9 0.7911 (7) 0.8990 (5) 0.5774 (4) 0.117 (2)
C1 0.9587 (3) 0.9122 (2) 0.91419 (16) 0.0307 (7)
C2 0.9262 (4) 0.8597 (2) 0.86486 (17) 0.0348 (8)
C3 0.9873 (4) 0.7898 (2) 0.86512 (18) 0.0366 (8)
H3 1.053081 0.776430 0.895599 0.044*
C4 0.9516 (4) 0.7402 (2) 0.82081 (19) 0.0427 (9)
C5 0.8607 (4) 0.7597 (2) 0.7743 (2) 0.0503 (11)
H5 0.839746 0.725761 0.743367 0.060*
C6 0.8009 (4) 0.8302 (2) 0.7740 (2) 0.0474 (10)
C7 0.8322 (4) 0.8791 (2) 0.81968 (18) 0.0410 (9)
H7 0.788835 0.926272 0.819926 0.049*
C8 0.7001 (5) 0.8521 (3) 0.7240 (2) 0.0524 (11)
C9 0.9543 (4) 0.5983 (2) 0.8141 (2) 0.0471 (10)
H9 0.868033 0.590508 0.798741 0.056*
C10 1.1463 (4) 0.5817 (2) 0.8486 (2) 0.0491 (11)
C11 0.2951 (4) 0.8422 (2) 0.63298 (19) 0.0384 (8)
C12 0.2446 (3) 0.7658 (2) 0.60889 (18) 0.0352 (8)
C13 0.1211 (3) 0.7458 (2) 0.60812 (18) 0.0350 (8)
H13 0.068519 0.779220 0.623470 0.042*
C14 0.0760 (3) 0.6763 (2) 0.58461 (17) 0.0323 (7)
C15 0.1505 (3) 0.6253 (2) 0.56297 (16) 0.0312 (7)
H15 0.117634 0.577962 0.547098 0.037*
C16 0.2751 (3) 0.6451 (2) 0.56500 (16) 0.0302 (7)
C17 0.3210 (3) 0.7149 (2) 0.58741 (17) 0.0343 (8)
H17 0.405450 0.728206 0.588177 0.041*
C18 0.3580 (3) 0.5898 (2) 0.54291 (16) 0.0290 (7)
C19 −0.1258 (3) 0.60990 (19) 0.54784 (15) 0.0268 (7)
H19 −0.102893 0.581665 0.518297 0.032*
C20 −0.2254 (3) 0.6553 (2) 0.60724 (18) 0.0383 (9)
C26 0.6635 (8) 0.9116 (5) 0.5717 (4) 0.0968 (18)
C27 0.6058 (10) 0.8655 (7) 0.5284 (5) 0.131 (2)
H27 0.517648 0.862358 0.516125 0.157*
C28 0.6900 (9) 0.8235 (6) 0.5039 (4) 0.117 (2)
H28A 0.677484 0.835102 0.463464 0.140*
H28B 0.678740 0.767776 0.508664 0.140*
C29 0.8187 (10) 0.8486 (6) 0.5345 (4) 0.123 (2)
H29A 0.869711 0.804248 0.551086 0.148*
H29B 0.863198 0.876334 0.509148 0.148*
C30 0.8927 (13) 0.9333 (8) 0.6220 (6) 0.162 (4)
H30A 0.915119 0.897202 0.653266 0.242*
H30B 0.862693 0.981265 0.635516 0.242*
H30C 0.966232 0.943849 0.606305 0.242*
O10 0.6705 (6) 0.6302 (5) 0.8041 (4) 0.172 (3)
N10 0.4953 (9) 0.5959 (5) 0.7478 (4) 0.143 (3)
C31 0.4844 (10) 0.7131 (7) 0.7778 (6) 0.144 (3)
H31A 0.486366 0.732020 0.816186 0.173*
H31B 0.519217 0.753553 0.757102 0.173*
C32 0.3591 (9) 0.6971 (5) 0.7505 (4) 0.115 (2)
H32A 0.329511 0.735222 0.720585 0.138*
H32B 0.303465 0.698872 0.777542 0.138*
C33 0.3593 (10) 0.6206 (6) 0.7266 (5) 0.131 (2)
H33A 0.337045 0.621983 0.685212 0.157*
H33B 0.300913 0.585998 0.740607 0.157*
C34 0.5337 (13) 0.5210 (7) 0.7399 (7) 0.182 (4)
H34A 0.532775 0.490524 0.773535 0.273*
H34B 0.618482 0.521830 0.732819 0.273*
H34C 0.476626 0.497986 0.707762 0.273*
C35 0.5631 (9) 0.6407 (6) 0.7804 (5) 0.127 (2)
O11 0.4603 (3) 0.9464 (2) 0.93764 (15) 0.0558 (8)
N11 0.4282 (5) 0.9451 (3) 0.8430 (2) 0.0695 (13)
C21 0.4017 (6) 0.9269 (4) 0.8923 (3) 0.0763 (15)
C22 0.2847 (8) 0.8768 (7) 0.8816 (3) 0.114 (2)
H22A 0.303704 0.825388 0.898416 0.137*
H22B 0.218435 0.900623 0.897931 0.137*
C23 0.2440 (8) 0.8708 (6) 0.8200 (3) 0.112 (2)
H23A 0.159426 0.892898 0.807544 0.134*
H23B 0.241629 0.816392 0.808222 0.134*
C24 0.3406 (7) 0.9163 (6) 0.7939 (3) 0.101 (2)
H24A 0.382878 0.882361 0.771219 0.121*
H24B 0.299880 0.958996 0.770132 0.121*
C25 0.5346 (7) 0.9894 (5) 0.8372 (3) 0.089 (2)
H25A 0.587143 0.999015 0.874275 0.134*
H25B 0.506782 1.038355 0.819129 0.134*
H25C 0.582724 0.961127 0.814221 0.134*
C36 1.0676 (8) 0.8452 (6) 0.4389 (4) 0.1118 (19)
O12a 0.9849 (11) 0.8936 (9) 0.4405 (7) 0.104 (4)
N12a 1.0272 (16) 0.7641 (11) 0.4178 (8) 0.119 (3)
C37a 1.1274 (18) 0.7079 (17) 0.4189 (17) 0.116 (3)
H37Aa 1.123146 0.682769 0.382194 0.140*
H37Ba 1.130819 0.668724 0.448548 0.140*
C38a 1.246 (2) 0.7735 (14) 0.4346 (11) 0.114 (3)
H38Aa 1.311930 0.754044 0.465642 0.137*
H38Ba 1.283715 0.781534 0.401551 0.137*
C39a 1.1936 (19) 0.8518 (15) 0.4521 (11) 0.115 (3)
H39Aa 1.222792 0.860785 0.492762 0.138*
H39Ba 1.221482 0.894953 0.431458 0.138*
C40a 0.9180 (18) 0.7372 (15) 0.4197 (11) 0.131 (4)
H40Aa 0.896638 0.751671 0.455305 0.196*
H40Ba 0.918848 0.681205 0.416565 0.196*
H40Ca 0.855764 0.758503 0.388626 0.196*
O12Ab 0.9590 (11) 0.8463 (9) 0.4247 (6) 0.124 (3)
N12Ab 1.1570 (12) 0.7963 (10) 0.4452 (7) 0.113 (2)
C37Ab 1.2898 (15) 0.8210 (11) 0.4517 (9) 0.113 (3)
H37Cb 1.316385 0.825577 0.415544 0.136*
H37Db 1.348820 0.788149 0.477873 0.136*
C38Ab 1.160 (2) 0.7284 (13) 0.4222 (13) 0.122 (3)
H38Cb 1.080387 0.702094 0.420887 0.183*
H38Db 1.228052 0.698052 0.444537 0.183*
H38Eb 1.174001 0.734339 0.384125 0.183*
C39Ab 1.2659 (14) 0.9050 (10) 0.4790 (8) 0.112 (3)
H39Cb 1.290680 0.903465 0.520375 0.134*
H39Db 1.314194 0.945805 0.464925 0.134*
C40Ab 1.1409 (15) 0.9179 (11) 0.4622 (9) 0.123 (3)
H40Db 1.126962 0.958116 0.432988 0.147*
H40Eb 1.108122 0.937197 0.494439 0.147*
  1. a

    Occupancy: 0.444 (6), bOccupancy: 0.556 (6).

1 Source of materials

The 5-(3-amino-1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid (H2L–NH2) and 1-methyl-2-pyrrolidinone (NMP) were commercial purchased from Shanghai Accela ChemBio Co., Ltd. Other reagents were purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. In a 20 mL capped vial, CuCl2·2H2O (0.0170 g, 0.1 mmol) and H2L–NH2 (0.0248 g, 0.1 mmol) were dissolved by NMP and ethyl alcohol (8 mL, V/V = 6:2). The vial was then sealed, transfered to an oven and heated to 110 °C for 72 h and cooled to room temperature at a rate of 15 °C/h. Blue block-like crystals of the title complex were obtained, yielding 41 % (based on the H2L–NH2 ligand).

2 Experimental details

The initial crystal structure was solved by SHELXT program and refined by SHELXL program. Cu-, C-, N- and O-atoms were refined with anisotropic displacement parameters and H-atoms were placed in idealized positions with isotropic thermal parameters. One of the guest NMP molecules was disordered and split treatment were performed with DFIX and SIMU command.

3 Comment

As a ligand bearing two kinds of potential coordinating atoms (carbonyl oxygen atom and triazole nitrogen atom), 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid (H2L) has been applied to construct complexes with a series of metal salts [5], [6], [7], [8]. However, up to now, the metal complexes based on the amino functionalized H2L, i.e., 5-(3-amino-1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid (H2L–NH2) has never been reported. Hence, to enrich the family of the metal complexes based on H2L–NH2, the title 3D Cu(II)-complex was synthesized under hydrothermal condition.

The asymmetric unit contains two copper(II) ions, two deprotonated H2L–NH2 ligands, three free NMP molecules and one coordinated NMP molecule. The Cu1(II) cation is penta-coordinated, bonded with four O-atoms (O1−3/2+x,3/2−y,−1/2+z, O21/2−x,−1/2+y,+3/2−z, O7−1+x,y,z, O8−x,1−y,1−z) derived from four different H2L–NH2 ligands and one N-atom (N7) from another H2L–NH2 ligand. The Cu2(II) caion is tetra-coordinated, bonded with three O-atoms (O3, O6, O9) derived from two different H2L–NH2 ligands and the coordinated NMP molecule, and one N-atom (N33/2−x,1/2+y,3/2−z) derived from another H2L–NH2 ligand. The Cu–O and Cu–N bond lengths are within the normal range of 1.893(3)–2.069(3) Å and 2.008(3)–2.017(3) Å, respectively. The bond lengths are comparable to the reported crystal structures containing analogous H2L–NH2 ligand with similar coordination environments [9], [10]. The dihedral angle between the triazole heterocyclic ring and centre benzene ring of the two crystallographic independent H2L–NH2 ligands are 26.77° and 39.97°, respectively. The two H2L–NH2 ligands displayed unified coordination modes, i.e., each ligand coordinated with four copper(II) ions. The two carboxyl groups in each H2L–NH2 ligand revealed different coordination mode. Significantly, two Cu1(II) cations, four carboxyl groups formed classical dinuclear [Cu2(COOR)4] paddle-wheel type secondary building units (SBUs; see the figure). In the end, the copper(II) ions and H2L–NH2 ligands connected with each other and with the help of intramolecular N–H⋯O hydrogen bonding interactions (N4–H4B⋯O53/2−x,−1/2+y,3/2−z, N8–H8A⋯O4−1+x,y,z, N8–H8B⋯O7−1+x,y,z), resulted in the 3D supermolecule framework of the title Cu(II)-complex.

Corresponding author: Yu-Pei Xia, College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061, P.R. China, E-mail:

  1. Author contribution: 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 Shandong Province Natural Science Foundation (No. ZR2022QB202).

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

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Received: 2024-02-23
Accepted: 2024-06-21
Published Online: 2024-07-23
Published in Print: 2024-10-28

© 2024 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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  26. Crystal structure of dichlorido-1-[(2-ethylimidazole-1-yl)methyl]-1H–benzotriazole κ1N zinc(II), C24H26ZnN10Cl2
  27. Crystal and molecular structure of 5-bromopyridine-2,3-diamine
  28. Crystal structure of catena-poly[bis(μ2-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-k3-O,O′:O″)hexaqua-dicobalt tetrahydrate], C26H36N4O20Co2
  29. Crystal structure of thiocyanate-κ1N-bis(μ1-2,6-diformyl-4-methylphenol oxime-κ2N,O)-manganese(III) acetonitrile solvate, C21H21MnN6O6S
  30. The crystal structure of pyrrolidin-1-yl pivalate, C9H13NO4
  31. The crystal structure of 2,2′-(2,2-diphenylethene-1,1-diyl)bis(1,4-dimethoxybenzene), C30H28O4
  32. Crystal structure of bis(benzyltrimethylammonium) tetrathiotungstate(VI), {(C6H5CH2)(CH3)3N}2[WS4]
  33. The crystal structure of ethyl (Z)-2-(ethoxymethylene)-3-oxobutanoate, C9H14O4
  34. The crystal structure of (E)-6-bromo-3,5-dimethyl-2-(1-phenylprop-1-en-2-yl)-3Himidazo[4,5b]pyridine, C17H16BrN3
  35. Crystal structure of (3S,3′S,4R,4′S)-3′-(furan-3-yl)-3-hydroxy-4′-methyl-3,5,6′,7′-tetrahydro-1H,3′H-4,5′-spirobi[isobenzofuran]-1,1′(4′H)-dione-methanol (1/1), C21H22O7
  36. Cocrystal structure of progesterone-isophthalic acid, C25H33O4
  37. The crystal structure of 3-(6-fluoro-1H-indol-3-yl)-1-methylquinoxalin-2(1H)-one, C17H12FN3O
  38. Crystal structure of S-(4-carboxybutyl)- l -cysteine
  39. The cocrystal of 2,2′-(hydrazine-1,1-diyl)bis(1H-imidazole-4,5-dicarbonitrile)– methanol (2/3)
  40. Crystal structure of (1′R,2′S,4′R,6′S)-4,6-dihydroxy-1′,8′,8′-trimethyl-3-(3-methylbutanoyl)-4′,8′,6′,1′,7,2′-hexahydro-1H-4′,6′-methanoxanthene-8-carbaldehyde, C23H30O5
  41. Crystal structure of (3,6-di(2-pyridyl)-4-methylphenyl pyridazine-k 2 N,N′)-bis(1-phenyl-pyrazole-κ 2 C,N) iridium(III) hexafluorophosphate, C39H29F6IrN8P
  42. Crystal structure of 1,5-bis[(E)-1-(2-hydroxyphenyl)ethylidene]thiocarbonohydrazide dimethyl sulfoxide monosolvate, C17H18N4O2S·C2H6OS
  43. Crystal structure of (S)-4-(2-(4-(2-acetyl-5-chlorophenyl)-3-methoxy-6-oxopyridazin-1(6H)-yl)-3-phenylpropanamido)benzoic acid monohydrate, C29H26ClN3O7
  44. The crystal structure of 1,3-bis(2,4-dinitro-1H-imidazol-1-yl)propane
  45. Crystal structure of 4-chlorobenzyl (S)-2-(6-methoxynaphthalen-2-yl)propanoate, C21H19ClO3
  46. Crystal structure of 1-(5-(benzo[d][1,3]dioxol-5-yl)-4-benzyl-1-(4-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one, C24H20BrN3O3
  47. The crystal structure of (Z)-3′-(2-(1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)-2′-hydroxy-[1,1′-biphenyl]-3-carboxylicacid ─ methanol (1/1), C26H26N4O5
  48. Crystal structure of (S)-1-phenylpropan-1-aminium (S)-(1-phenylpropyl)carbamate C19H26N2O2
  49. Synthesis and crystal structure of methyl 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, C18H16BrN3O2S
  50. The crystal structure of trichlorobis(pyridine-2,6-dithio-κS-carbomethylamido)antimony(III), [SbCl3(C9H11N3S2)2]
  51. Crystal structure of 1,8-dihydroxy-3-{[(triphenylstannyl)oxy]carbonyl} anthracene-9,10-dione, C33H22O6Sn
  52. The crystal structure of (E)-4-(2-(pyridin-4-ylmethylene)hydrazine-1-carbonyl)pyridin-1-ium-2-olate dihydrate, C12H14N4O4
  53. The crystal structure of 6-amino-pyridinium-2-carboxylate, C6H6N2O2
  54. The crystal structure of catena-poly[aqua-nitrato-κ3O,O:O′′-(1,10-phenanthroline-κ2N,N′)sodium(I)], C24H18N6O7Na2
  55. Retractions
  56. Retraction of: Crystal structure of bis[diaquaisonicotinatosamarium(III)]-µ-isonicotinato-[diisonicotinatocopper(II)], CuSm2(C6H4NO2)8(H2O)4
  57. Retraction of: Crystal structure of aqua(2,2′-bipyridine-k 2 N:N′)(nitrato)-(4-aminobenzoato)cadmium(II) nitrate, [Cd(H2O)(NO3)(C10H8N2)(C7H7NO2)][NO3]
https://doi.org/10.1515/ncrs-2024-0084
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Articles in the same Issue

  1. Frontmatter
  2. Editorial
  3. Editorial 2024 – New developments and changes of Zeitschrift für Kristallographie – New Crystal Structures
  4. New Crystal Structures
  5. Hydrogen bonding and π⋅⋅⋅halogen interactions in the crystal structure of bis(theophyllinium) hexachloridoplatinate(IV) monohydrate
  6. The crystal structure of 6-amino-2-carboxypyridin-1-ium perchlorate, C6H7ClN2O6
  7. Crystal structure of poly[(μ4-(3-amino-1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ 4 N:O:O':O')(1-methylpyrroldin-2-one-κ1O)dicopper(II)] – 1-methylpyrroldin-2-one (1/3), C40H48Cu2N12O12
  8. The crystal structure of 18-crown-6-k6O6(2,4,5-trinitroimidazol-1-ido-k1O)potassium(I)
  9. Crystal structure of poly[tetraaqua-bis(μ2-5-bromoisophthalato-κ3O,O′:O″)-(μ2-1,5-bis(imidazol-2-methyl)pentane-κ2N:N′)dicadmium(II)] dihydrate
  10. Crystal structure of (5R,6S,E)-5-acetoxy-2-methyl-6-((2aR,3R,5aS,5bS,11aR,12aS)-2a,5a,8,8-tetramethyl-9-oxotetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)hept-2-enoic acid, C32H48O5
  11. The crystal structure of poly[diaqua-bis(μ2 -thiocyanato-κ2N:O)cobalt(II) monohydrate
  12. The crystal structure of 1,3,5-tri(1H-imidazol-1-yl)benzene–2,3,5,6-tetrachlorobenzene-1,4-dicarboxylic acid (1/1)
  13. Crystal structure of dichlorido-bis(1-[(2-ethyl-benzimidazole-1-yl)methyl]-1H–benzotriazole) cadmium(II), C32H32CdN10OCl2
  14. The crystal structure of N′-(tert-butyl)-N′-(3,5-dimethylbenzoyl)-3-methoxy-N,2-dimethylbenzohydrazide, C23H30N2O3
  15. Crystal stucture of 3-benzamido-N-(2-bromo-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-2-fluorobenzamide
  16. Crystal structure of bis(μ-benzeneselenolato)-(tetracarbonyl)-{μ-[N-(diphenylphosphanyl)-N-(3-ethynylphenyl)-P,P-diphenylphosphinous amide]} diiron, C48H35Fe2NO4P2Se2
  17. The crystal structure of 2′-(p-tolyl)-4′H-spiro[isochromane-1,1′-naphthalene]-3,4′-dione, C25H18O3
  18. The crystal structure of poly[hexaqua-tetrakis(μ4-pyridine-2,4-dicarboxylate-κ5N: O: O′: O″: O‴)-bi(μ2-pyridine-2,4-dicarboxylate-κ3N: O: O′)-digadolinium(III)tricopper (II)], [Gd2Cu3(C7H3NO4)6(H2O)6] n
  19. Crystal structure of poly[bis(4-(4-(pyridin-4-yl)phenyl)pyridin-1-ium-κ1N)-(μ4-benzene-1,2,4,5-tetracarboxylato-κ5O:O′: O″:O‴:O⁗)-(μ2-2,5-dicarboxyterephthalato-κ2O:O′)dizinc(II)], C52H32N4O16Zn2
  20. The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-carboxy-6-nitrobenzoate monohydrate, C24H25FN4O10
  21. Crystal structure of dichlorido-(1-((3,5-dimethyl-2,3-dihydro-1H-1,2,3-triazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-k1N)zinc(II), C22H24ZnN12Cl2
  22. The crystal structure of (3-chlorothiophene-2-carboxylato-κ2O, O′)-(2,2′-dipyridyl-κ2N,N′)lead(II), C20H12Cl2N2O4S2Pb
  23. Synthesis and crystal structure of (Z)-4-((1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, C19H14FN5O
  24. The crystal structure of the coordination compound catena-poly[(18-crown-6-ether-κ6O6)(4,5-dinitroimidazolato-κ1O)potassium(I)]
  25. Crystal structure of 7-(diethylamino)-3-(trifluoroacetyl)-2H-chromen-2-one, C15H14F3NO3
  26. Crystal structure of dichlorido-1-[(2-ethylimidazole-1-yl)methyl]-1H–benzotriazole κ1N zinc(II), C24H26ZnN10Cl2
  27. Crystal and molecular structure of 5-bromopyridine-2,3-diamine
  28. Crystal structure of catena-poly[bis(μ2-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-k3-O,O′:O″)hexaqua-dicobalt tetrahydrate], C26H36N4O20Co2
  29. Crystal structure of thiocyanate-κ1N-bis(μ1-2,6-diformyl-4-methylphenol oxime-κ2N,O)-manganese(III) acetonitrile solvate, C21H21MnN6O6S
  30. The crystal structure of pyrrolidin-1-yl pivalate, C9H13NO4
  31. The crystal structure of 2,2′-(2,2-diphenylethene-1,1-diyl)bis(1,4-dimethoxybenzene), C30H28O4
  32. Crystal structure of bis(benzyltrimethylammonium) tetrathiotungstate(VI), {(C6H5CH2)(CH3)3N}2[WS4]
  33. The crystal structure of ethyl (Z)-2-(ethoxymethylene)-3-oxobutanoate, C9H14O4
  34. The crystal structure of (E)-6-bromo-3,5-dimethyl-2-(1-phenylprop-1-en-2-yl)-3Himidazo[4,5b]pyridine, C17H16BrN3
  35. Crystal structure of (3S,3′S,4R,4′S)-3′-(furan-3-yl)-3-hydroxy-4′-methyl-3,5,6′,7′-tetrahydro-1H,3′H-4,5′-spirobi[isobenzofuran]-1,1′(4′H)-dione-methanol (1/1), C21H22O7
  36. Cocrystal structure of progesterone-isophthalic acid, C25H33O4
  37. The crystal structure of 3-(6-fluoro-1H-indol-3-yl)-1-methylquinoxalin-2(1H)-one, C17H12FN3O
  38. Crystal structure of S-(4-carboxybutyl)- l -cysteine
  39. The cocrystal of 2,2′-(hydrazine-1,1-diyl)bis(1H-imidazole-4,5-dicarbonitrile)– methanol (2/3)
  40. Crystal structure of (1′R,2′S,4′R,6′S)-4,6-dihydroxy-1′,8′,8′-trimethyl-3-(3-methylbutanoyl)-4′,8′,6′,1′,7,2′-hexahydro-1H-4′,6′-methanoxanthene-8-carbaldehyde, C23H30O5
  41. Crystal structure of (3,6-di(2-pyridyl)-4-methylphenyl pyridazine-k 2 N,N′)-bis(1-phenyl-pyrazole-κ 2 C,N) iridium(III) hexafluorophosphate, C39H29F6IrN8P
  42. Crystal structure of 1,5-bis[(E)-1-(2-hydroxyphenyl)ethylidene]thiocarbonohydrazide dimethyl sulfoxide monosolvate, C17H18N4O2S·C2H6OS
  43. Crystal structure of (S)-4-(2-(4-(2-acetyl-5-chlorophenyl)-3-methoxy-6-oxopyridazin-1(6H)-yl)-3-phenylpropanamido)benzoic acid monohydrate, C29H26ClN3O7
  44. The crystal structure of 1,3-bis(2,4-dinitro-1H-imidazol-1-yl)propane
  45. Crystal structure of 4-chlorobenzyl (S)-2-(6-methoxynaphthalen-2-yl)propanoate, C21H19ClO3
  46. Crystal structure of 1-(5-(benzo[d][1,3]dioxol-5-yl)-4-benzyl-1-(4-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one, C24H20BrN3O3
  47. The crystal structure of (Z)-3′-(2-(1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)-2′-hydroxy-[1,1′-biphenyl]-3-carboxylicacid ─ methanol (1/1), C26H26N4O5
  48. Crystal structure of (S)-1-phenylpropan-1-aminium (S)-(1-phenylpropyl)carbamate C19H26N2O2
  49. Synthesis and crystal structure of methyl 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, C18H16BrN3O2S
  50. The crystal structure of trichlorobis(pyridine-2,6-dithio-κS-carbomethylamido)antimony(III), [SbCl3(C9H11N3S2)2]
  51. Crystal structure of 1,8-dihydroxy-3-{[(triphenylstannyl)oxy]carbonyl} anthracene-9,10-dione, C33H22O6Sn
  52. The crystal structure of (E)-4-(2-(pyridin-4-ylmethylene)hydrazine-1-carbonyl)pyridin-1-ium-2-olate dihydrate, C12H14N4O4
  53. The crystal structure of 6-amino-pyridinium-2-carboxylate, C6H6N2O2
  54. The crystal structure of catena-poly[aqua-nitrato-κ3O,O:O′′-(1,10-phenanthroline-κ2N,N′)sodium(I)], C24H18N6O7Na2
  55. Retractions
  56. Retraction of: Crystal structure of bis[diaquaisonicotinatosamarium(III)]-µ-isonicotinato-[diisonicotinatocopper(II)], CuSm2(C6H4NO2)8(H2O)4
  57. Retraction of: Crystal structure of aqua(2,2′-bipyridine-k 2 N:N′)(nitrato)-(4-aminobenzoato)cadmium(II) nitrate, [Cd(H2O)(NO3)(C10H8N2)(C7H7NO2)][NO3]
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