Home Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea – water (2/2/1), C30H72N10O7S2
Article Open Access

Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea – water (2/2/1), C30H72N10O7S2

  • Lulu Zhang , Qianqian Han and Xin Zhu ORCID logo EMAIL logo
Published/Copyright: April 4, 2023
Download Article (PDF)
Become an author with De Gruyter Brill
Submit Manuscript Author Information
Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 238 Issue 3

Abstract

C30H72N10O7S2, triclinic, P1̄ (no. 2), a = 8.75510(10) Å, b = 15.1170(2) Å, c = 16.8843(2) Å, α =  76.272 ( 1 ) ° , β =  78.397 ( 1 ) ° , γ =  88.277 ( 1 ) ° , V = 2126.09(5) Å3, Z = 2, R gt(F) = 0.0407, wR ref(F 2) = 0.1282, T = 296(2) K.

CCDC no.: 2247441

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: Colorless block
Size: 0.26 × 0.24 × 0.12 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.18 mm−1
Diffractometer, scan mode: φ and ω
θ max, completeness: 25.0°, >99%
N(hkl)measured , N(hkl)unique, R int: 19,173, 7464, 0.018
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 5867
N(param)refined: 454
Programs: Bruker [1], SHELX [2,3]
Table 2:

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

Atom x y z U iso*/U eq
S1 0.54199 (6) −0.19846 (3) 0.19276 (3) 0.06188 (16)
C1 0.54831 (19) −0.11339 (11) 0.10362 (10) 0.0458 (4)
N1 0.47763 (19) −0.03618 (10) 0.11265 (9) 0.0610 (4)
H1A 0.4746 0.0073 0.0697 0.073*
H1B 0.4350 −0.0298 0.1614 0.073*
O1 0.8247 (2) −0.34784 (10) −0.11645 (9) 0.0828 (5)
O1W 0.3863 (2) 0.88541 (13) 0.35088 (10) 0.0912 (5)
H1WA 0.341 (3) 0.9353 (15) 0.3311 (18) 0.137*
H1WB 0.432 (4) 0.8641 (19) 0.3107 (16) 0.137*
C2 0.69574 (19) −0.18183 (11) 0.00015 (11) 0.0479 (4)
S2 −0.11863 (11) 0.41500 (4) 0.40623 (4) 0.1043 (3)
N2 0.60970 (17) −0.11424 (9) 0.02440 (8) 0.0490 (3)
O2 0.91976 (19) −0.40157 (10) −0.00259 (10) 0.0818 (5)
C3 −0.0259 (2) 0.33659 (12) 0.35660 (11) 0.0569 (4)
N3 0.73681 (19) −0.17486 (10) −0.08130 (9) 0.0628 (4)
H3A 0.7935 −0.2159 −0.0998 0.075*
H3B 0.7067 −0.1293 −0.1156 0.075*
O3 0.93551 (17) −0.48140 (8) −0.09911 (8) 0.0660 (4)
H3 0.989 (3) −0.5175 (16) −0.0642 (14) 0.099*
C4 −0.1134 (2) 0.19808 (12) 0.45466 (10) 0.0509 (4)
N4 0.7456 (2) −0.25345 (10) 0.04963 (10) 0.0654 (4)
H4A 0.8021 −0.2930 0.0287 0.078*
H4B 0.7216 −0.2604 0.1027 0.078*
O4 0.14137 (19) 0.15667 (9) 0.26780 (8) 0.0720 (4)
H4 0.089 (3) 0.1770 (17) 0.3088 (14) 0.108*
C5 0.8903 (2) −0.40666 (12) −0.07089 (12) 0.0585 (5)
N5 0.0617 (2) 0.36858 (11) 0.28120 (10) 0.0708 (5)
H5A 0.1121 0.3316 0.2543 0.085*
H5B 0.0678 0.4262 0.2595 0.085*
O5 0.15811 (18) 0.03631 (9) 0.37020 (8) 0.0728 (4)
C6 0.1959 (2) 0.07336 (12) 0.29528 (12) 0.0581 (5)
N6 −0.02533 (17) 0.24580 (9) 0.38305 (8) 0.0518 (3)
O6 0.2823 (2) 0.04111 (11) 0.24221 (10) 0.0946 (6)
C7 0.5107 (2) 0.24778 (14) 0.25670 (12) 0.0639 (5)
H7A 0.4265 0.2907 0.2604 0.077*
H7B 0.4696 0.1937 0.2463 0.077*
N7 −0.2301 (2) 0.23033 (12) 0.50136 (9) 0.0672 (4)
H7C −0.2819 0.1951 0.5458 0.081*
H7D −0.2545 0.2866 0.4875 0.081*
C8 0.5611 (3) 0.22199 (17) 0.33973 (13) 0.0805 (6)
H8A 0.6437 0.1779 0.3374 0.097*
H8B 0.6020 0.2756 0.3511 0.097*
N8 −0.0785 (2) 0.11143 (10) 0.47743 (10) 0.0677 (4)
H8C −0.1316 0.0772 0.5220 0.081*
H8D −0.0026 0.0892 0.4477 0.081*
C9 0.4276 (4) 0.1824 (3) 0.40841 (16) 0.1242 (12)
H9A 0.4625 0.1667 0.4603 0.186*
H9B 0.3464 0.2264 0.4114 0.186*
H9C 0.3880 0.1288 0.3977 0.186*
N9 0.63831 (16) 0.28956 (10) 0.18284 (9) 0.0525 (4)
C10 0.7093 (2) 0.37362 (12) 0.19616 (12) 0.0576 (4)
H10A 0.7598 0.3553 0.2435 0.069*
H10B 0.7896 0.3981 0.1478 0.069*
N10 −0.04455 (15) 0.75384 (9) 0.31284 (8) 0.0474 (3)
C11 0.5979 (3) 0.44880 (15) 0.21093 (16) 0.0788 (6)
H11A 0.5399 0.4647 0.1664 0.095*
H11B 0.5240 0.4278 0.2629 0.095*
C12 0.6856 (3) 0.53132 (15) 0.21442 (18) 0.0917 (7)
H12A 0.6134 0.5786 0.2238 0.138*
H12B 0.7418 0.5157 0.2590 0.138*
H12C 0.7577 0.5525 0.1627 0.138*
C13 0.5642 (2) 0.31320 (14) 0.10672 (12) 0.0652 (5)
H13A 0.4740 0.3504 0.1183 0.078*
H13B 0.5271 0.2573 0.0977 0.078*
C14 0.6702 (3) 0.36336 (18) 0.02699 (13) 0.0820 (6)
H14A 0.7005 0.4221 0.0334 0.098*
H14B 0.7640 0.3287 0.0164 0.098*
C15 0.5905 (4) 0.3772 (2) −0.04558 (17) 0.1165 (10)
H15A 0.6600 0.4090 −0.0951 0.175*
H15B 0.5619 0.3191 −0.0526 0.175*
H15C 0.4985 0.4124 −0.0356 0.175*
C16 0.7699 (2) 0.22289 (12) 0.17130 (12) 0.0573 (4)
H16A 0.8494 0.2522 0.1242 0.069*
H16B 0.8165 0.2107 0.2202 0.069*
C17 0.7257 (3) 0.13335 (14) 0.15734 (16) 0.0774 (6)
H17A 0.6777 0.1443 0.1090 0.093*
H17B 0.6498 0.1017 0.2051 0.093*
C18 0.8659 (3) 0.07447 (16) 0.14427 (16) 0.0870 (7)
H18A 0.8343 0.0179 0.1355 0.131*
H18B 0.9404 0.1053 0.0965 0.131*
H18C 0.9125 0.0627 0.1925 0.131*
C19 −0.1834 (2) 0.68854 (12) 0.34653 (11) 0.0531 (4)
H19A −0.2740 0.7189 0.3285 0.064*
H19B −0.1635 0.6367 0.3216 0.064*
C20 −0.2228 (3) 0.65383 (14) 0.43936 (13) 0.0705 (5)
H20A −0.2242 0.7043 0.4658 0.085*
H20B −0.1436 0.6119 0.4573 0.085*
C21 −0.3801 (3) 0.60597 (18) 0.46553 (18) 0.0950 (8)
H21A −0.4039 0.5841 0.5249 0.142*
H21B −0.4585 0.6478 0.4484 0.142*
H21C −0.3781 0.5555 0.4399 0.142*
C22 −0.0699 (2) 0.83633 (12) 0.35043 (11) 0.0541 (4)
H22A −0.0632 0.8172 0.4087 0.065*
H22B 0.0143 0.8800 0.3230 0.065*
C23 −0.2225 (2) 0.88361 (13) 0.34452 (14) 0.0651 (5)
H23A −0.3081 0.8416 0.3738 0.078*
H23B −0.2315 0.9027 0.2866 0.078*
C24 −0.2327 (3) 0.96604 (15) 0.38187 (16) 0.0823 (6)
H24A −0.3305 0.9953 0.3776 0.123*
H24B −0.2252 0.9470 0.4394 0.123*
H24C −0.1488 1.0080 0.3523 0.123*
C25 −0.0293 (2) 0.78225 (13) 0.21897 (10) 0.0557 (4)
H25A −0.0163 0.7279 0.1974 0.067*
H25B −0.1262 0.8098 0.2070 0.067*
C26 0.1033 (2) 0.84809 (16) 0.17260 (12) 0.0727 (6)
H26A 0.2012 0.8224 0.1848 0.087*
H26B 0.0887 0.9046 0.1906 0.087*
C27 0.1087 (3) 0.8668 (2) 0.07964 (15) 0.1033 (9)
H27A 0.1931 0.9086 0.0505 0.155*
H27B 0.1243 0.8108 0.0619 0.155*
H27C 0.0121 0.8928 0.0677 0.155*
C28 0.1022 (2) 0.70833 (13) 0.33586 (12) 0.0581 (4)
H28A 0.1860 0.7536 0.3184 0.070*
H28B 0.0852 0.6883 0.3960 0.070*
C29 0.1557 (3) 0.62808 (16) 0.29953 (15) 0.0781 (6)
H29A 0.1926 0.6487 0.2399 0.094*
H29B 0.0690 0.5858 0.3093 0.094*
C30 0.2850 (3) 0.5810 (2) 0.3393 (2) 0.1150 (10)
H30A 0.3187 0.5299 0.3160 0.172*
H30B 0.3709 0.6228 0.3290 0.172*
H30C 0.2476 0.5601 0.3982 0.172*

1 Source of materials

Amidinothiourea and tetrapropylammonium hydroxide (25% aqueous solution), which are commercially available, were mixed in a molar ratio of 1:2. The mixture was dissolved in a minimum amount of ethanol and water, then the mixture was vigorously stirred for about 60 min. Subsequently the clean solution was set aside to allow it slow evaporation at room temperature. Colorless block crystals were obtained. It can be concluded that the bicarbonate anions are present in the crystal structure due to the absorption of CO2 of the air under basic conditions.

2 Experimental details

Crystal data, data collection and structure refinement details are summarized in Table 1.

3 Comment

Amidinothiourea is a derivative of thiourea, which can be utilized in the crystal engineering to explore supramolecular architecture [4,5]. It can be seen that amidinothiourea is a good hydrogen bond acceptor and donor due to it functional groups. Till now, the similar organic crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea [6] has been reported.

In the asymmetric unit of the title structure, there are two independent 1-(diaminomethylene)thiourea, two bicarbonate anions, two tetrapropylammonium cations and one water molecule. Two amidinothiourea molecules firstly interact with each other to form a dimer by a pair of N–H⋯N hydrogen bonds. At the same time, two bicarbonate anions also link with each other to generate the related dimer by O–H⋯O contacts. Then these two types of dimers utilize N–H⋯O hydrogen bonding to extend to form the hydrogen-bonded chains, and these neighboring chains are connected with each other by the linkage of water molecules by different N–H⋯O and O–H⋯S hydrogen bonds to finally generate a 2-dimensional hydrogen-bonded layer. Between the adjacent layers, tetrapropylammonium cations are contained to construct the final stable crystal structure.

Corresponding author: Xin Zhu, Pharmacy College, Henan University of Chinese Medicine, Zhengzhou, 450046, China, E-mail:

Acknowledgements

We gratefully acknowledge support by Henan University of Chinese Medicine.

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

  2. Research funding: Received financial support from Henan University of Chinese Medicine.

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

References

1. BRUKER. SAINT, APEX2 and SADABS; Bruker AXS Inc.: Madison, Wisconsin, USA, 2009.Search in Google Scholar

2. Sheldrick, G. M. SHELXTL – integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8.10.1107/S2053273314026370Search in Google Scholar PubMed PubMed Central

3. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Search in Google Scholar

4. Janczak, J. Supramolecular archtecture formed between amidinothiourea and 2-pyridinecarboxylic acid. J. Mol. Struct. 2021, 1242, 130736; https://doi.org/10.1016/j.molstruc.2021.130736.Search in Google Scholar

5. Janczak, J. Supramolecular architecture and SHG activity of organic crystals formed between the amidinothiourea and nicotinic acid. J. Mol. Struct. 2023, 1273, 134385; https://doi.org/10.1016/j.molstruc.2022.134385.Search in Google Scholar

6. Xu, D., Wang, B., Zhu, X. Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2). Z. Kristallogr. N. Cryst. Struct. 2022, 237, 59–60; https://doi.org/10.1515/ncrs-2021-0361.Search in Google Scholar
Received: 2023-02-18
Accepted: 2023-03-09
Published Online: 2023-04-04
Published in Print: 2023-06-27

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

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

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of phenyl(3,3-dichloro-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one)methanone, C7H4Cl2N2O
  4. Crystal structure of poly[diaqua-bis(μ 2-1,4-diaminobutane-N:N′)cobalt(II)] dichloride, C8H28Cl2CoN4O2
  5. Synthesis and crystal structure of (4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro-2H,6H-8a,4a-(epoxymethano)phenanthren-12-one, C20H32O3
  6. The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O
  7. Crystal structure of tetrapropylammonium-1,3,5-thiadiazole-5-amido-2-carbamate – 1,2,4-thiadiazole-3,5-diamine – water (1/1/1), C17H37N9O3S2
  8. Tetrabutylammonium 1,3,5-thiadiazole-5-amido-2-carbamate—1,2,4-thiadiazole-3,5-diamine— water (1/1/1), C21H45N9O3S2
  9. The crystal structure of ((E)-2,4-dichloro-6-(((2-hydroxy-5-nitrophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Cl2MnN5O4
  10. The crystal structure of aqua-bis{2-bromo-6-((2-(2-phenylacetyl)hydrazineylidene)methyl)phenolato-κ3 N,O,O′}-dimethylformamide-κ1 O-erbium(III) chloride – dimethylformamide – water (1/2/1), C39H49N7O9Br2ClEr
  11. Crystal structure of (diaqua-bis(phenanthroline-K 2 N,N′)-tetrakis(m 2-3,4,5,6-tetrafluorophthalato-K 4 O,O:O′:O″;K 2 O:O′)dierbium (III) phenanthroline (1/2), C80H38Er2F16N8O18
  12. Crystal structure of (E)-7-methoxy-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C20H17F3O3
  13. The crystal structure of 4–(4,4,5,5–tetramethyl–1,3,2–dioxaborolan–2–yl)morpholine, C10H20BNO3
  14. The crystal structure of catena–poly[aqua(1-naphthoato-κ 2 O,O′)-(μ-1-naphthoato-κ 4 O:O,O′:O′)lead(II)], C22H16O5Pb
  15. The crystal structure of 1-(4-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O
  16. The crystal structure of 4-(pyren-1-yl)butyl-4-nitrobenzoate, C27H21NO4
  17. Crystal structure of cyclo-(bis(µ2-3,3′-(1H-imidazole-3-ium-1,3-diyl)dipropionato-κ4 O,O′:O″,O″′)-dinitrato-κ2 O,O′-tetraoxido-diuranium(VI) C18H22N6O18U2
  18. The crystal structure of catena-[nitrato-κ 2 O,O′-(μ 3-3-iodobenzene-1,2-dicarboxylato-κ 4 O:O′:O″,O‴)-(2,2′:6′,2″-terpyridine-κ 3 N,N′,N″)lanthanum(III)], C23H14IN4O7La
  19. Redetermination of crystal structure of [bis(pyridin-2-ylmethyl)amine-κ 3 N,Nʹ,Nʺ]chloridopalladium(II) chloride monohydrate
  20. Crystal structure of catena-poly[triaqua-[bis(m2-4-(1H-1,2,4-triazol-1-yl)benzoato-k2O:O')-(4-(1H-1,2,4-triazol-1-yl)benzoato-k1O)-praseodymium (III) monohydrate], C27H26N9O10Pr
  21. Crystal structure of trans-diaqua-bis(methyl methylcarbamohydrazonothioato-κ2 N,N′) nickel(II) iodide semihydrate, C6H22N6O2NiS2I2·0.5H2O
  22. The crystal structure of 2-(2-fluoro-4-methyl-5-((2,2,2-trifluoroethyl)thio)phenyl)isoindolin-1-one, C17H13F4NOS
  23. The crystal structure of di-μ-1-naphthylacetato-κ 3 O,O′:O;κ 3 O:O,O′-bis[(1-naphthylacetato-κ 2 O,O′)(2,2′-bipyridine-κ 2 N,N′)lead(II)] monohydrate, C68H54N4O9Pb2
  24. Crystal structure of tetrapropylammonium guanidinium 4,4′-sulfonyldibenzoate monohydrate, C27H44N4O7S
  25. Crystal structure of bis(tetrapropylammonium) terephthalate – 1-(diaminomethylene)thiourea – water (1/2/4) C18H40N5O4S
  26. Crystal structure of (E)-7-fluoro-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C21H20FNO2
  27. The crystal structure of poly[diaqua-bis(μ 3-5-bromobenzene-1,3-dicarboxylato-κ 3 O,O,O′)-(μ 2-1,3-bis-(4-pyridyl)-propane-κ 2 N,N′)-dizinc(II))] – 5-bromobenzene-1,3-dicarboxylic acid [2/1], C37H29Br3N2O14Zn2
  28. The crystal structure of 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate), C20H17BrO6S2
  29. Crystal structure of europium dichromium icosaaluminum, EuCr2Al20
  30. The crystal structure of N′1,N′3-di((E)-benzylidene) isophthalohydrazide dihydrate, C 22 H 22 N 4 O 4
  31. Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
  32. Crystal structure of 4-chloro-N′-[(1E)-pyridin-3-ylmethylidene]benzohydrazide, C13H10ClN3O
  33. The crystal structure of (Z)-3-(1-(2-((E)-4-isopropylbenzylidene)hydrazinyl)ethylidene) chroman-2,4-dione, C21H20N2O3
  34. Crystal structure of E-7-fluoro-2-(2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H12F4O
  35. Crystal structure of bis(6-aminopyridine-2-carboxylato–k2O,N)-bis(N,N-dimethylformamide-k1 O)zinc(II), C18H24N6O6Zn
  36. Crystal structure of 5-(adamantan-1-yl)-3-[(4-{[2-(trifluoromethyl)phenyl]-methyl}piperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, C25H31F3N4OS
  37. Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea – water (2/2/1), C30H72N10O7S2
  38. Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12
  39. Crystal structure of 2-amino-3-[2-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-ethylideneamino]-but-2-enedinitrile, C17H17N5
  40. The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O
  41. Crystal structure of potassium bis(pentaselenido-κ 2 Se 1,Se 5)palladate(II), K2[Pd(Se5)2]
  42. The crystal structure of 5,10-bis(2-methoxyethyl)-5,10-dihydro-[1,2,3,4]tetrathiocino[5,6-b:8, 7-b′]diindole, C22H22N2O2S4
  43. The crystal structure of 4-(4-iodophenyl)-5H-1,2,3-dithiazole-5-thione, C8H4INS3
  44. Crystal structure of bis{μ2-(4-acetyl-phenoxy)acetato-κ2 O:O′}-bis{μ2-(4-acetyl-phenoxy)acetato-κ3 O,O′:O)- bis{(4-acetyl-phenoxy)acetato-κ2 O,O′}-bis(phenanthrolin-κ2 N,N′)didysprosium(III) tetrahydrate, C84H78N4O28Dy2
  45. Crystal structure of Eu2Pd3.37(1)Zn13.63(1)
  46. Crystal structure of 2-methoxy-4-(methoxy-carbonyl)phenyl 2-chloro-4-fluorobenzoate, C16H12ClFO5
  47. Crystal structure of catena-poly[bis(μ2-dicyanamide-κ2 N:N′)-bis(4-vinylpyridine-κN)-copper(II)], C18H14CuN8
  48. The crystal structure of iguratimod-dimethylformamide (1/1), C17H14N2O6S·C3H7NO
  49. Synthesis and crystal structure of 1-((3R,10S,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO
  50. The crystal structure of diaqua-bis(4-bromo-2-formylphenoxy)zinc(II), C14H12Br2O6Zn
  51. The crystal structure of tetra(1-ethylimidazole-κ 1 N)-[μ 4-imidazole-4,5-dicarboxylato-κ 4 O, N, O′, N′]-trioxido-divanadium, C25H33N10O7V2
  52. The crystal structure of (E)-N′-(1-(4-fluorophenyl)propylidene)-2-hydroxybenzohydrazide, C16H15FN2O2
https://doi.org/10.1515/ncrs-2023-0072
Creative Commons
BY 4.0

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of phenyl(3,3-dichloro-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one)methanone, C7H4Cl2N2O
  4. Crystal structure of poly[diaqua-bis(μ 2-1,4-diaminobutane-N:N′)cobalt(II)] dichloride, C8H28Cl2CoN4O2
  5. Synthesis and crystal structure of (4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro-2H,6H-8a,4a-(epoxymethano)phenanthren-12-one, C20H32O3
  6. The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O
  7. Crystal structure of tetrapropylammonium-1,3,5-thiadiazole-5-amido-2-carbamate – 1,2,4-thiadiazole-3,5-diamine – water (1/1/1), C17H37N9O3S2
  8. Tetrabutylammonium 1,3,5-thiadiazole-5-amido-2-carbamate—1,2,4-thiadiazole-3,5-diamine— water (1/1/1), C21H45N9O3S2
  9. The crystal structure of ((E)-2,4-dichloro-6-(((2-hydroxy-5-nitrophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Cl2MnN5O4
  10. The crystal structure of aqua-bis{2-bromo-6-((2-(2-phenylacetyl)hydrazineylidene)methyl)phenolato-κ3 N,O,O′}-dimethylformamide-κ1 O-erbium(III) chloride – dimethylformamide – water (1/2/1), C39H49N7O9Br2ClEr
  11. Crystal structure of (diaqua-bis(phenanthroline-K 2 N,N′)-tetrakis(m 2-3,4,5,6-tetrafluorophthalato-K 4 O,O:O′:O″;K 2 O:O′)dierbium (III) phenanthroline (1/2), C80H38Er2F16N8O18
  12. Crystal structure of (E)-7-methoxy-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C20H17F3O3
  13. The crystal structure of 4–(4,4,5,5–tetramethyl–1,3,2–dioxaborolan–2–yl)morpholine, C10H20BNO3
  14. The crystal structure of catena–poly[aqua(1-naphthoato-κ 2 O,O′)-(μ-1-naphthoato-κ 4 O:O,O′:O′)lead(II)], C22H16O5Pb
  15. The crystal structure of 1-(4-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O
  16. The crystal structure of 4-(pyren-1-yl)butyl-4-nitrobenzoate, C27H21NO4
  17. Crystal structure of cyclo-(bis(µ2-3,3′-(1H-imidazole-3-ium-1,3-diyl)dipropionato-κ4 O,O′:O″,O″′)-dinitrato-κ2 O,O′-tetraoxido-diuranium(VI) C18H22N6O18U2
  18. The crystal structure of catena-[nitrato-κ 2 O,O′-(μ 3-3-iodobenzene-1,2-dicarboxylato-κ 4 O:O′:O″,O‴)-(2,2′:6′,2″-terpyridine-κ 3 N,N′,N″)lanthanum(III)], C23H14IN4O7La
  19. Redetermination of crystal structure of [bis(pyridin-2-ylmethyl)amine-κ 3 N,Nʹ,Nʺ]chloridopalladium(II) chloride monohydrate
  20. Crystal structure of catena-poly[triaqua-[bis(m2-4-(1H-1,2,4-triazol-1-yl)benzoato-k2O:O')-(4-(1H-1,2,4-triazol-1-yl)benzoato-k1O)-praseodymium (III) monohydrate], C27H26N9O10Pr
  21. Crystal structure of trans-diaqua-bis(methyl methylcarbamohydrazonothioato-κ2 N,N′) nickel(II) iodide semihydrate, C6H22N6O2NiS2I2·0.5H2O
  22. The crystal structure of 2-(2-fluoro-4-methyl-5-((2,2,2-trifluoroethyl)thio)phenyl)isoindolin-1-one, C17H13F4NOS
  23. The crystal structure of di-μ-1-naphthylacetato-κ 3 O,O′:O;κ 3 O:O,O′-bis[(1-naphthylacetato-κ 2 O,O′)(2,2′-bipyridine-κ 2 N,N′)lead(II)] monohydrate, C68H54N4O9Pb2
  24. Crystal structure of tetrapropylammonium guanidinium 4,4′-sulfonyldibenzoate monohydrate, C27H44N4O7S
  25. Crystal structure of bis(tetrapropylammonium) terephthalate – 1-(diaminomethylene)thiourea – water (1/2/4) C18H40N5O4S
  26. Crystal structure of (E)-7-fluoro-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C21H20FNO2
  27. The crystal structure of poly[diaqua-bis(μ 3-5-bromobenzene-1,3-dicarboxylato-κ 3 O,O,O′)-(μ 2-1,3-bis-(4-pyridyl)-propane-κ 2 N,N′)-dizinc(II))] – 5-bromobenzene-1,3-dicarboxylic acid [2/1], C37H29Br3N2O14Zn2
  28. The crystal structure of 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate), C20H17BrO6S2
  29. Crystal structure of europium dichromium icosaaluminum, EuCr2Al20
  30. The crystal structure of N′1,N′3-di((E)-benzylidene) isophthalohydrazide dihydrate, C 22 H 22 N 4 O 4
  31. Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
  32. Crystal structure of 4-chloro-N′-[(1E)-pyridin-3-ylmethylidene]benzohydrazide, C13H10ClN3O
  33. The crystal structure of (Z)-3-(1-(2-((E)-4-isopropylbenzylidene)hydrazinyl)ethylidene) chroman-2,4-dione, C21H20N2O3
  34. Crystal structure of E-7-fluoro-2-(2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H12F4O
  35. Crystal structure of bis(6-aminopyridine-2-carboxylato–k2O,N)-bis(N,N-dimethylformamide-k1 O)zinc(II), C18H24N6O6Zn
  36. Crystal structure of 5-(adamantan-1-yl)-3-[(4-{[2-(trifluoromethyl)phenyl]-methyl}piperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, C25H31F3N4OS
  37. Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea – water (2/2/1), C30H72N10O7S2
  38. Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12
  39. Crystal structure of 2-amino-3-[2-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-ethylideneamino]-but-2-enedinitrile, C17H17N5
  40. The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O
  41. Crystal structure of potassium bis(pentaselenido-κ 2 Se 1,Se 5)palladate(II), K2[Pd(Se5)2]
  42. The crystal structure of 5,10-bis(2-methoxyethyl)-5,10-dihydro-[1,2,3,4]tetrathiocino[5,6-b:8, 7-b′]diindole, C22H22N2O2S4
  43. The crystal structure of 4-(4-iodophenyl)-5H-1,2,3-dithiazole-5-thione, C8H4INS3
  44. Crystal structure of bis{μ2-(4-acetyl-phenoxy)acetato-κ2 O:O′}-bis{μ2-(4-acetyl-phenoxy)acetato-κ3 O,O′:O)- bis{(4-acetyl-phenoxy)acetato-κ2 O,O′}-bis(phenanthrolin-κ2 N,N′)didysprosium(III) tetrahydrate, C84H78N4O28Dy2
  45. Crystal structure of Eu2Pd3.37(1)Zn13.63(1)
  46. Crystal structure of 2-methoxy-4-(methoxy-carbonyl)phenyl 2-chloro-4-fluorobenzoate, C16H12ClFO5
  47. Crystal structure of catena-poly[bis(μ2-dicyanamide-κ2 N:N′)-bis(4-vinylpyridine-κN)-copper(II)], C18H14CuN8
  48. The crystal structure of iguratimod-dimethylformamide (1/1), C17H14N2O6S·C3H7NO
  49. Synthesis and crystal structure of 1-((3R,10S,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO
  50. The crystal structure of diaqua-bis(4-bromo-2-formylphenoxy)zinc(II), C14H12Br2O6Zn
  51. The crystal structure of tetra(1-ethylimidazole-κ 1 N)-[μ 4-imidazole-4,5-dicarboxylato-κ 4 O, N, O′, N′]-trioxido-divanadium, C25H33N10O7V2
  52. The crystal structure of (E)-N′-(1-(4-fluorophenyl)propylidene)-2-hydroxybenzohydrazide, C16H15FN2O2
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 15.11.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2023-0072/html
Scroll to top button