Home Crystal structure of (1E)-N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5
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Crystal structure of (1E)-N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5

  • Zeliha Atioğlu ORCID logo EMAIL logo
Published/Copyright: September 22, 2021
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 236 Issue 6

Abstract

C 17 H 17 Cl 2 N 5 , monoclinic, P21/c (no. 14), a = 14.603(2) Å, b = 24.059(4) Å, c = 10.1380(16) Å, β = 93.141(3)∘, V = 3556.4(10) Å 3 , Z = 8, R gt (F) = 0.0512, wR ref (F2) = 0.1416, T = 296(2) K.

CCDC no.: 2108841

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

Figure 1: A perspective view of the asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 30% probability level. The two molecules (A and B) in the asymmetric unit are linked by N—H···N hydrogen bonds shown as dashed lines. Only the major component of the disordered atoms is shown for clarity.
Figure 1:

A perspective view of the asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 30% probability level. The two molecules (A and B) in the asymmetric unit are linked by N—H···N hydrogen bonds shown as dashed lines. Only the major component of the disordered atoms is shown for clarity.

Table 1:

Data collection and handling.

Crystal: Yellow irregular
Size: 0.32 × 0.22 × 0.12 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.37 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θmax, completeness: 27.6°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 30263, 8240, 0.049
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 4576
N(param)refined: 474
Programs: Bruker [1], SHELX [2, 3], WinGX/ORTEP [4], PLATON [5]
Table 2:

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

Atom x y z Uiso*/Ueq
C1 0.98245 (18) 0.17607 (12) 0.4007 (3) 0.0594 (7)
H1 0.936791 0.161750 0.342835 0.071*
C2 1.06576 (19) 0.14891 (13) 0.4150 (3) 0.0655 (8)
H2 1.075867 0.116554 0.367751 0.079*
C3 1.13303 (18) 0.17007 (13) 0.4992 (3) 0.0602 (7)
C4a 1.1233 (6) 0.2205 (4) 0.5598 (10) 0.0640 (19)
H4a 1.172001 0.236487 0.609086 0.077*
C5a 1.0390 (8) 0.2472 (5) 0.5458 (12) 0.062 (2)
H5a 1.031192 0.281168 0.587349 0.074*
C4Ab 1.1079 (18) 0.2084 (12) 0.587 (3) 0.0640 (19)
H4Ab 1.147163 0.216109 0.659733 0.077*
C5Ab 1.026 (2) 0.2365 (14) 0.572 (4) 0.062 (2)
H5Ab 1.012441 0.264172 0.631923 0.074*
C6 0.96532 (16) 0.22390 (10) 0.4702 (2) 0.0473 (6)
C7 0.87451 (17) 0.25136 (11) 0.4591 (3) 0.0517 (6)
C8 0.8611 (2) 0.30554 (13) 0.5271 (3) 0.0796 (10)
H8A 0.888836 0.334761 0.478693 0.119*
H8B 0.889033 0.303935 0.614943 0.119*
H8C 0.796630 0.312765 0.531419 0.119*
C9 0.65586 (17) 0.21923 (11) 0.3180 (3) 0.0514 (6)
C10 0.45869 (15) 0.24199 (10) 0.1447 (2) 0.0455 (6)
C11 0.4755 (2) 0.30013 (12) 0.1001 (3) 0.0724 (9)
H11A 0.528470 0.300823 0.048014 0.109*
H11B 0.485903 0.323731 0.175833 0.109*
H11C 0.423063 0.313192 0.047919 0.109*
C12 0.37824 (15) 0.21137 (10) 0.0876 (2) 0.0442 (6)
C13 0.33074 (17) 0.17375 (11) 0.1612 (3) 0.0512 (6)
H13 0.349573 0.167554 0.249076 0.061*
C14 0.25601 (19) 0.14530 (11) 0.1066 (3) 0.0594 (7)
H14 0.224226 0.120529 0.157699 0.071*
C15 0.22890 (18) 0.15369 (12) −0.0229 (3) 0.0592 (7)
C16 0.2755 (2) 0.18980 (13) −0.0987 (3) 0.0684 (8)
H16 0.257431 0.194755 −0.187287 0.082*
C17 0.34912 (18) 0.21879 (13) −0.0436 (3) 0.0611 (7)
H17 0.379916 0.243824 −0.095220 0.073*
N1 0.81069 (14) 0.22430 (9) 0.3944 (2) 0.0522 (5)
N2 0.72570 (15) 0.24858 (10) 0.3799 (2) 0.0584 (6)
H2N 0.721 (2) 0.2824 (12) 0.370 (3) 0.070*
N3 0.66766 (18) 0.16488 (10) 0.3000 (3) 0.0710 (8)
H3NA 0.716 (2) 0.1505 (14) 0.324 (3) 0.085*
H3NB 0.624 (2) 0.1462 (14) 0.265 (3) 0.085*
N4 0.58347 (13) 0.24812 (8) 0.2838 (2) 0.0541 (5)
N5 0.51198 (13) 0.21556 (8) 0.2278 (2) 0.0496 (5)
Cl1 1.23700 (5) 0.13522 (4) 0.52022 (10) 0.0941 (3)
Cl2 0.13562 (6) 0.11783 (4) −0.09404 (10) 0.0943 (3)
C18a 0.4264 (7) 0.4648 (5) 0.7502 (11) 0.0581 (19)
H18a 0.422294 0.434609 0.693014 0.070*
C19a 0.3583 (7) 0.4732 (5) 0.8365 (10) 0.0617 (19)
H19a 0.308137 0.449396 0.836773 0.074*
C18Aa 0.4481 (19) 0.4565 (15) 0.778 (3) 0.0581 (19)
H18Aa 0.457363 0.421667 0.740926 0.070*
C19Aa 0.3810 (18) 0.4639 (14) 0.864 (3) 0.0617 (19)
H19Aa 0.344311 0.434008 0.885106 0.074*
C20 0.36573 (18) 0.51709 (12) 0.9218 (3) 0.0567 (7)
C21 0.4329 (2) 0.55541 (12) 0.9122 (3) 0.0657 (8)
H21 0.433523 0.587146 0.964623 0.079*
C22 0.50043 (19) 0.54719 (11) 0.8245 (3) 0.0611 (7)
H22 0.546093 0.573863 0.818411 0.073*
C23 0.50231 (17) 0.50082 (10) 0.7460 (2) 0.0476 (6)
C24 0.57422 (16) 0.49163 (10) 0.6518 (2) 0.0468 (6)
C25 0.6417 (2) 0.53660 (12) 0.6260 (3) 0.0659 (8)
H25A 0.698988 0.528675 0.673364 0.099*
H25B 0.618511 0.571593 0.655117 0.099*
H25C 0.651020 0.538387 0.533120 0.099*
C26 0.63407 (16) 0.38669 (10) 0.4322 (2) 0.0466 (6)
C27 0.82185 (17) 0.40787 (11) 0.2563 (2) 0.0504 (6)
C28 0.8205 (2) 0.35922 (13) 0.1632 (3) 0.0767 (9)
H28A 0.760575 0.342657 0.158847 0.115*
H28B 0.864980 0.332252 0.194557 0.115*
H28C 0.834984 0.371678 0.076882 0.115*
C29 0.89736 (17) 0.44853 (10) 0.2558 (2) 0.0485 (6)
C30 0.9702 (2) 0.44238 (13) 0.1747 (3) 0.0699 (8)
H30 0.968988 0.413300 0.114229 0.084*
C31 1.04427 (19) 0.47792 (13) 0.1810 (3) 0.0709 (8)
H31 1.092401 0.472538 0.125936 0.085*
C32 1.04652 (17) 0.52066 (11) 0.2675 (3) 0.0552 (7)
C33a 0.9718 (8) 0.5331 (4) 0.3408 (12) 0.064 (2)
H33a 0.971449 0.564752 0.393490 0.076*
C34a 0.8958 (7) 0.4963 (5) 0.3333 (11) 0.0593 (19)
H34a 0.844527 0.504121 0.380481 0.071*
C33Ab 0.983 (3) 0.5188 (11) 0.361 (4) 0.064 (2)
H33Ab 0.989021 0.543121 0.432118 0.076*
C34Ab 0.9169 (18) 0.4868 (13) 0.356 (3) 0.0593 (19)
H34Ab 0.877315 0.488219 0.424784 0.071*
N6 0.57311 (14) 0.44386 (9) 0.5944 (2) 0.0499 (5)
N7 0.63867 (15) 0.43353 (9) 0.5060 (2) 0.0549 (6)
H7N 0.6796 (19) 0.4547 (12) 0.494 (3) 0.066*
N8 0.56333 (17) 0.35217 (11) 0.4463 (3) 0.0610 (6)
H8NA 0.530 (2) 0.3569 (12) 0.506 (3) 0.073*
H8NB 0.5619 (19) 0.3212 (13) 0.397 (3) 0.073*
N9 0.69490 (14) 0.37425 (8) 0.3462 (2) 0.0501 (5)
N10 0.76155 (13) 0.41545 (8) 0.3417 (2) 0.0470 (5)
Cl3 0.28131 (5) 0.52635 (4) 1.03409 (8) 0.0800 (3)
Cl4 1.14287 (5) 0.56361 (3) 0.28543 (9) 0.0797 (3)

  1. aOccupancy: 0.73(2), bOccupancy: 0.27(2).

Source of material

Weigh 2 g (0.0159 mol) 1,3–diaminoguanidine hydrochloride salt and put into a 100 mL flask. It is dissolved in a mixture of purified water (15 mL) and methanol (15 mL), and 4.13 mL (2.2 eq) of 4-methylbenzaldehyde is added. After mixing at room for 24 h in a magnetic stirrer, it is refluxed for 2 h, then the reaction is stopped, cooled to room temperature and neutralized with 0.64 g (1 eq) NaOH. For precipitation the mixture is kept in the refrigerator for 30–45 min, the precipitated material is filtered with a crucible, washed with distilled water (3 × 5 mL) and dried under vacuum. After waiting for one day, crystallization is performed in ethanol (EtOH), kept in the refrigerator for 24 h, the crystalline substance formed is filtered, washed in cold ethanol, the impurity of the substance is checked with TLC (Thin Layer Chromatogram) paper, then dried in a vacuum oven. 5.05 g and the yield was 94%.

Experimental details

The hydrogen atoms of the NH and NH 2 groups of molecules A and B were located from a difference–Fourier map and refined freely with U iso (H) = 1.5U eq (N). All C-bound H atoms were refined using a riding model with d(C—H) = 0.93 Å, U iso (H) = 1.2U eq (C) for aromatic and 0.96 Å, U iso (H) = 1.5U eq (C) for methyl H atoms. Atoms C4, C5, C18, C19, C33 and C34 of the chlorobenzene rings of molecules A and B were refined as disordered over two sets of sites with site occupancies of 0.73 (2) and 0.27 (2). Ellipsoid displacement (EADP) constraints were applied to disordered atom groups C4/C4A, C5/C5A, C18/C18A, C19/C19A, C33/C33A and C34/C34A.

Comment

Aminoguanidine is a guanidine derivative known for centuries. It is a compound that is structurally similar to the amino acid L-arginine, which contains a guanidine structure. In addition, aminoguanidine is an important molecule in the formation of nitric oxide by the catalytic effect of nitric oxide synthase [6]. In addition, aminoguanidine was administered to rats with cataracts and it was stated that aminoguanidine had cataract-preventing activity in this application. In recent years, aminoguanidine has been found to be a new promising compound that delays aging. At the same time, it has been observed that atherosclerosis, which increases with age, decreases with the application of aminoguanidine [7].

Moreover, compounds containing an imidazole core are structural isosteres of naturally occurring nucleotides, allowing them to readily interact with biopolymers responsible for numerous biological activities and functions of the living system [8].

There is no symmetry relationship between two molecules A (with Cl1) and B (with Cl3) of the title compound in the asymmetric unit Figure 1. The dihedral angles between the aromatic rings (C1—C6, C12—C17 and C18—C22, C29—C34) of the major components of the disordered molecules A and B are 86.6(2) and 6.0(3) ∘ for molecule A and B, respectively. The dihedral angles between the aromatic rings [(C1—C3,C4A,C5A,C6), (C12—C17) and (C18A,C19A,C20—C22), (C29—C32,C33A,C34A)] of the minor components of the disordered molecules A and B are 88.3(7) and 19.2(9) ∘ for molecule A and B, respectively. The conformations of the molecules A and B are different. This may be attributed to the different steric interactions that occur due to having the different environments in the crystal.

The bond length values in the title compound can be compared with those of the related compounds which are 1,2-bis((pentafluorobenzylidene)amino)guanidine methanol solvate (CSD refcode EMOCIT [9]), 1,3-bis((pentafluorobenzylidene)amino)guanidinium benzoate benzoic acid solvate (EMOCUF [9]) and 1,3-bis((1-naphthylmethylene) amino)guanidinium benzoate benzoic acid solvate (EMOCOZ [9]).

In the crystal, molecules A and B are connected by N—H⃛N hydrogen bonds [N2—H2N/N9: H2N/N9 = 2.25(3) Å, N2/N9 = 3.073(3) Å with angle at H2N = 175(3) ∘ and N8—H8NB/N4: H8NB/N4 = 2.13(3) Å, N8/N4 = 3.020(3) Å with angle at H8NB = 170(3) ∘ ], forming a R22(8) ring motif parallel to the (001) plane. Furthermore, molecules are linked by C—H⃛Cl contacts C11—H11C/Cl1i: H11C/Cl1i = 2.99 Å, C11/Cl1i = 3.860(3) Å with angle at H11C = 151.9 ∘ for symmetry operation (i): −1 + x, 1/2 − y,  − 1/2 + z; C19—H19/Cl1ii: H19/Cl1ii = 2.98 Å, C19/Cl1ii = 3.711(10) Å with angle at H19 = 136.3 ∘ for (ii): −1 + x, 1/2 − y, 1/2 + z; C19A—H19A/Cl1ii: H19A/Cl1ii = 2.71 Å, C19A/Cl1ii = 3.60(3) Å with angle at H19A = 161.8 ∘ for (ii): −1 + x, 1/2 − y, 1/2 + z and C33—H33/Cl2iii: H33/Cl2iii = 2.93 Å, C33/Cl2iii = 3.694(11) Å with angle at H33 = 140.9 ∘ for (iii): 1 − x, 1/2 + y, 1/2 − z], C—Cl ⃛ π interactions [C15—Cl2/Cg(C29—C34)iv: Cl2/Cg(C29—C34)iv = 3.729(3) Å with angle at Cl2 = 167.09(11) ∘ ; C15—Cl2/Cg(C29—C32/C33A,C34A)iv: Cl2/Cg(C29—C32/C33A,C34A)iv = 3.590(8) Å with angle at Cl2 = 167.21(16) ∘ for (iv) −1 + x, 1/2 − y, − 1/2 + z] and π − π stacking interactions [Cg1(C18—C23)⃛Cg1(C18—C23)v = 3.892(4) Å, angle = 0.0(3) ∘ and slippage = 1.68 Å; Cg2(C20—C23/C18A,C19A)⃛Cg2(C20—C23/C18A,C19A)v = 3.618(10) Å, angle = 0.0(9) ∘ and slippage = 1.15 Å for (v) 1 − x, 1 − y, 2 − z], forming a three-dimensional network.

Corresponding author: Zeliha Atioğlu, Avionics Department, School of Applied Sciences, Cappadocia University, 50420, Mustafapaşa, Ürgüp, Nevşehir, Turkey, E-mail:

  1. Author contributions: The author has accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The author declares no conflicts of interest regarding this article.

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Received: 2021-08-06
Accepted: 2021-09-10
Published Online: 2021-09-22
Published in Print: 2021-12-20

© 2021 Zeliha Atioğlu, published by De Gruyter, Berlin/Boston

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

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  32. Crystal structure of 1-(2-(4-bromophenyl)-2,3-dihydro-1H-benzo[e]indol-1-yl)-naphthalen-2-ol – dichloromethane – dimethyl sulfoxide (1/1/1), C28H18BrNO·CH2Cl2·C2H6SO
  33. Crystal structure of [meso-5,7,7,12,14,14,-hexamethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) diperchlorate – dimethylsulphoxide (1/2), C20H48Cl2N4NiO10S2
  34. Crystal structure of 1,1′-(1,3-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S) palladium(II), C26H18N6PdS4
  35. The crystal structure of bis(6-phenylpyridine-2-carboxylato-κ2 N,O)copper(II), C24H16N2O4Cu
  36. Crystal structure of dichlorido-bis(4-chlorophenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C48H38As2Cl4O2Sn
  37. Crystal structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ 8 N 2, O 6) potassium cyclopentadienide, [K([2.2.2]crypt)]Cp, C23H41KN2O6
  38. The crystal structure of bis(2-oxidopyridin-1-ium-3-carboxylato-κ2O,O′)-(phenantroline-κ2N,N′)manganese(II) - methanol (1/3), C27H28N4O9Mn
  39. Crystal structure of 4-(dimethylamino)pyridinium dibromido-tris(4-chlorophenyl-κC)stannate(IV), C25H23Br2Cl3N2Sn
  40. Crystal structure of (3E,5E)-1-(4-cyanobenzenesulfonyl)-3,5-bis(3-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C27H20Cl2F2N2O3S
  41. Crystal structure of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-trifluoromethyl)benzenesulfonyl)piperidin-4-one, C26H18F5NO3S
  42. Crystal structure of chlorido-(4-methyl-2-((phenylimino)methyl)phenolato-κ2 N,O)-(pyridine-κ1 N)platinum(II), C19H17ClN2OPt
  43. Crystal structure of (4-methylbenzyl)(triphenyl)phosphonium chloride dihydrate, C26H28ClO2P
  44. The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′silver(I)], C12H12AgClN2
  45. Crystal structure of poly[(μ4-benzene-1,2,4,5-tetracarboxylato)-bis(μ2-adipohydrazide)dicadmium], C11H15N4O6Cd
  46. The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O
  47. The crystal structure of bis(6-phenylpyridine-2-carboxylate-κ2 N,O)-(2,2′-bipyridine-κ2 N,N′)zinc(II) monohydrate, C34H26N4O5Zn
  48. The crystal structure of (1R *,2S *)-1,2-bis(2-fluorophenyl)-3,8-dimethoxyacenaphthene-1,2-diol, C26H20F2O4
  49. Crystal structure of catena-poly[(μ2-1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzotriazole-κ2N:N′)-(nitrato-κ2O,O′)silver (I)], C13H15Ag1N6O3
  50. The crystal structure of [(phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)cobalt(II)]monohydrate, C36H26N4O5Co
  51. Crystal structure of (1E)-N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5
  52. The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol, C11H14ClNO
  53. Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S
  54. Crystal structure of dichlorido-bis(dimethyl sulfoxide-κO)bis(4-methylphenyl-κC 1)tin(IV), C18H26Cl2O2S2Sn
  55. Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)(2,2′-bipyridyl-κ 2 N,N′)tin(IV), C22H16Cl4N2Sn
  56. Redetermination of the crystal structure of (E)-5-bromo-2-hydroxybenzaldehyde oxime, C 7 H 6 BrNO 2
  57. The crystal structure of (E)-amino(2-(4-methylbenzylidene)hydrazineyl)methaniminium 4-methylbenzoate, C9H13N4 + C8H7O2 −
  58. Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2
  59. The crystal structure of bis(2-acetyl-5-methoxyphenyl)carbonate 1.5 hydrate, C19H18O7
  60. The crystal structure of poly[(μ 4-4,4′-(azanediylbis(methylene))dibenzoato-κ 4 O:N:O′:Oʺ)zinc(II)], C16H13NO4Zn
  61. The crystal structure of catena-poly[(1,10-phenanthroline-k2N,N′)-(μ3-tetraoxidomoybdato(VI)-k3O:O′:O″)manganese(II)] C12H8N2O4MoMn
  62. Crystal structure of catena-poly[(4-hydroxyl-5-(methoylcarbonyl)thiophene-2-carboxylato-κ1 O)-(μ2-piperazine-1,4-diylbis(pyridin-4-ylmethanone)-κ2 N:N′)silver(I)] monohydrate, C23H23AgN4O8S
  63. Crystal structure of bis(4-bromo-2-(((3-bromopropyl)imino)methyl)phenolato-κ2N,O)-oxido-vanadium(IV), C20H20Br4N2O3V
  64. The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7
  65. The crystal structure of 3-bromopicolinic acid, C6H4BrNO2
  66. Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S) platinum(II), C26H18N6PtS4
  67. Synthesis and crystal structure of 5-(8-((3-carboxyazetidin-1-ium-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate monohydrate, C20H19NO10S
  68. The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2
  69. The crystal structure of (2-hydroxy-5-methyl-phenyl)-(1H-pyrazol-4-yl)-methanone hemihydrate, C11H10.5N2O2.5
  70. Crystal structure of tetraaqua-(2-(4-formylphenoxy)acetato-k1O)cadmium(II), C18H22O12Cd
  71. Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4
  72. Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5
https://doi.org/10.1515/ncrs-2021-0322
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Redetermination of the crystal structure of 3-bromonitrobenzene at 200 K, C6H4BrNO2 – temperature effects on cell constants
  4. Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5
  5. Crystal structure of (8R,10R,14R, Z)-2-((3–Fluoropyridin-4-yl) methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6, 6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a] phenanthren-3-one, C36H52FNO3
  6. Crystal structure of [6,6′-((1E,1′E)-(propane-1,3- diylbis(azaneylylidene))bis(methaneylylidene)) bis(3-chlorophenol)-κ4N,N′,O,O′] copper(II), C17H14Cl2CuN2O2
  7. The crystal structure of 6-amino-2-carboxypyridin-1-ium bromide, C6H7BrN2O2
  8. Redetermination of the crystal structure of bis[N,N′-ethylenebis(acetylacetoniminato)nickel(II)] sodium perchlorate, C24H36ClN4NaNi2O8
  9. The crystal structure of 3-methyl-2,6-dinitrophenol, C7H6N2O5
  10. The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
  11. Crystal structure of trans-tetraaqua-bis{2-carboxy-4-((5-carboxypyridin-3-yl)oxy)benzoato-κ1 N}cobalt(II) dihydrate C28H28O20N2Co
  12. Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-(p-tolyl)furan, C23H23BrO2
  13. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(benzo[d][1,3]dioxol-5-ol ato-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV)-dichloromethane(1/1), C27H25N3O10Ti
  14. Crystal structure of (((1E,1′E)-1,2-phenylenebis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(aminomethaniminium) dinitrate C10H16N10O6
  15. Crystal structure of catena-poly[triaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ 1 O)nickel(II)]N,N′-dimethylformamide (1/1), C28H35N8O8Ni
  16. The crystal structure of 3,3′-[1,4-phenylenebis(methylene)]bis(1-ethenyl-1H-imidazol-3-ium) dichloride – dichloromethane – water (1/1/1), C19H24Cl4N4O1
  17. Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C13H22F12N4P2
  18. Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)tin(IV), C12H8Cl4Sn
  19. Synthesis and crystal structure of 4-acetylpyrene, C18H12O
  20. Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4
  21. The crystal structure of (E)-2-(((5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C27H21N3OS2Sn
  22. Crystal structure of diaqua-bis(μ2-6-phenylpyridine-2-carboxylate-κ3N,O:O)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)lead(II) – N,N-dimethylformamide – water (1/2/4), C54H58N6O16Pb2
  23. Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5
  24. Crystal structure of 2,2′-(propane-1,3-dilylbis(azaneylylidene))bis(methanylylidene)bis(4-methylphenol), C19H22N2O2
  25. Crystal structure of dichlorido-bis(4-methylphenyl-κC1)tin(IV), C14H14Cl2Sn
  26. Crystal structure of methyl (E)-3-(4-acetoxyphenyl)acrylate, C12H12O4
  27. The crystal structure of bis(benzoato-κ2 O,O′)-(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)-copper(II), C28H22CuN2O4
  28. Crystal structure of (8R,10R,14R,Z)-12-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one–water (2/1), C37H56NO4.5
  29. Crystal structure of dimethyl-bis(4-bromophenyl-κC1)tin(IV), C14H14Br2Sn
  30. The crystal structure of the cocrystal di-μ2-chlorido-octamethyl-di-μ3-oxido-bis(2,3,4,5-tetrafluorobenzoato-κ2 O,O′)tetratin(IV) ─ octamethyl-di-μ3-oxido-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O;O′)tetratin(IV) C58H54Cl2F24O16Sn8
  31. Crystal structure of 3-iodo-N 2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N 1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, C23H22F7I1N2O4S1
  32. Crystal structure of 1-(2-(4-bromophenyl)-2,3-dihydro-1H-benzo[e]indol-1-yl)-naphthalen-2-ol – dichloromethane – dimethyl sulfoxide (1/1/1), C28H18BrNO·CH2Cl2·C2H6SO
  33. Crystal structure of [meso-5,7,7,12,14,14,-hexamethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) diperchlorate – dimethylsulphoxide (1/2), C20H48Cl2N4NiO10S2
  34. Crystal structure of 1,1′-(1,3-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S) palladium(II), C26H18N6PdS4
  35. The crystal structure of bis(6-phenylpyridine-2-carboxylato-κ2 N,O)copper(II), C24H16N2O4Cu
  36. Crystal structure of dichlorido-bis(4-chlorophenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C48H38As2Cl4O2Sn
  37. Crystal structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ 8 N 2, O 6) potassium cyclopentadienide, [K([2.2.2]crypt)]Cp, C23H41KN2O6
  38. The crystal structure of bis(2-oxidopyridin-1-ium-3-carboxylato-κ2O,O′)-(phenantroline-κ2N,N′)manganese(II) - methanol (1/3), C27H28N4O9Mn
  39. Crystal structure of 4-(dimethylamino)pyridinium dibromido-tris(4-chlorophenyl-κC)stannate(IV), C25H23Br2Cl3N2Sn
  40. Crystal structure of (3E,5E)-1-(4-cyanobenzenesulfonyl)-3,5-bis(3-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C27H20Cl2F2N2O3S
  41. Crystal structure of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-trifluoromethyl)benzenesulfonyl)piperidin-4-one, C26H18F5NO3S
  42. Crystal structure of chlorido-(4-methyl-2-((phenylimino)methyl)phenolato-κ2 N,O)-(pyridine-κ1 N)platinum(II), C19H17ClN2OPt
  43. Crystal structure of (4-methylbenzyl)(triphenyl)phosphonium chloride dihydrate, C26H28ClO2P
  44. The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′silver(I)], C12H12AgClN2
  45. Crystal structure of poly[(μ4-benzene-1,2,4,5-tetracarboxylato)-bis(μ2-adipohydrazide)dicadmium], C11H15N4O6Cd
  46. The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O
  47. The crystal structure of bis(6-phenylpyridine-2-carboxylate-κ2 N,O)-(2,2′-bipyridine-κ2 N,N′)zinc(II) monohydrate, C34H26N4O5Zn
  48. The crystal structure of (1R *,2S *)-1,2-bis(2-fluorophenyl)-3,8-dimethoxyacenaphthene-1,2-diol, C26H20F2O4
  49. Crystal structure of catena-poly[(μ2-1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzotriazole-κ2N:N′)-(nitrato-κ2O,O′)silver (I)], C13H15Ag1N6O3
  50. The crystal structure of [(phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)cobalt(II)]monohydrate, C36H26N4O5Co
  51. Crystal structure of (1E)-N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5
  52. The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol, C11H14ClNO
  53. Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S
  54. Crystal structure of dichlorido-bis(dimethyl sulfoxide-κO)bis(4-methylphenyl-κC 1)tin(IV), C18H26Cl2O2S2Sn
  55. Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)(2,2′-bipyridyl-κ 2 N,N′)tin(IV), C22H16Cl4N2Sn
  56. Redetermination of the crystal structure of (E)-5-bromo-2-hydroxybenzaldehyde oxime, C 7 H 6 BrNO 2
  57. The crystal structure of (E)-amino(2-(4-methylbenzylidene)hydrazineyl)methaniminium 4-methylbenzoate, C9H13N4 + C8H7O2 −
  58. Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2
  59. The crystal structure of bis(2-acetyl-5-methoxyphenyl)carbonate 1.5 hydrate, C19H18O7
  60. The crystal structure of poly[(μ 4-4,4′-(azanediylbis(methylene))dibenzoato-κ 4 O:N:O′:Oʺ)zinc(II)], C16H13NO4Zn
  61. The crystal structure of catena-poly[(1,10-phenanthroline-k2N,N′)-(μ3-tetraoxidomoybdato(VI)-k3O:O′:O″)manganese(II)] C12H8N2O4MoMn
  62. Crystal structure of catena-poly[(4-hydroxyl-5-(methoylcarbonyl)thiophene-2-carboxylato-κ1 O)-(μ2-piperazine-1,4-diylbis(pyridin-4-ylmethanone)-κ2 N:N′)silver(I)] monohydrate, C23H23AgN4O8S
  63. Crystal structure of bis(4-bromo-2-(((3-bromopropyl)imino)methyl)phenolato-κ2N,O)-oxido-vanadium(IV), C20H20Br4N2O3V
  64. The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7
  65. The crystal structure of 3-bromopicolinic acid, C6H4BrNO2
  66. Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S) platinum(II), C26H18N6PtS4
  67. Synthesis and crystal structure of 5-(8-((3-carboxyazetidin-1-ium-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate monohydrate, C20H19NO10S
  68. The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2
  69. The crystal structure of (2-hydroxy-5-methyl-phenyl)-(1H-pyrazol-4-yl)-methanone hemihydrate, C11H10.5N2O2.5
  70. Crystal structure of tetraaqua-(2-(4-formylphenoxy)acetato-k1O)cadmium(II), C18H22O12Cd
  71. Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4
  72. Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5
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