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Open Access journal
ISSN (Online) 2414-3146
Published by IUCr

[10 journals]

- Authors: Azzam; R.A., Elgemeie, G.H., Gad, N.M., Jones, P.G.
  Abstract: In the title compound, C32H29BrN2O10S3, the benzothiazole and thiophene ring systems subtend an interplanar angle of 7.43 (12)°. The NH2 group forms intramolecular hydrogen bonds to Nthiazole and Ocarbonyl. The Sgalactose—Cthiophene bond is short [1.759 (2) Å]. The molecules are connected to form ribbons parallel to the b axis by two `weak' hydrogen bonds and a short Namino...Sgalactose contact.
  Keywords: benzothiazole; thiophene; galactose; crystal structure
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-28
  DOI: 10.1107/S2414314622004126
  Issue No: Vol. 7, No. 4 (2022)
2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate
- Authors: Obidova; N., Ashurov, J., Izotova, L., Ibragimov, B.
  Abstract: In the solid-state structure of the title compound derived from diclofenac, C2H8NO+·C14H10Cl2NO2−·H2O, the asymmetric unit contains one cation, one anion and a water molecule, all in general positions. A complex network of hydrogen bonds is present in the crystal structure.
  Keywords: crystal structure; diclofenac; complex; hydrogen bonding.
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-28
  DOI: 10.1107/S2414314622004412
  Issue No: Vol. 7, No. 4 (2022)
Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–n-hexane
(2/1/1)
- Authors: Cao; H., Wang, J., Li, J.
  Abstract: The crystal structure of solvated [Mn(TPP)(NO3)] (TPP = 5,10,15,20-tetraphenylporphyrinato, C44H28N4), [Mn(C44H28N4O3)(NO3)]·0.5C6H14·0.5C6H6, has been determined in the space group Pccn. The MnIII atom has a distorted square-pyramidal environment, being coordinated by four pyrrole N atoms of the porphyrin ligand in the basal plane and an O atom of the nitrato ligand in the apical site. The MnIII atom is displaced out of the porphyrin plane by 0.22 (4) Å with the average Mn—Np distance being 2.011 (6) Å (where Np is a porphyrin N atom). The Mn—O bond length is 2.1246 (18) Å. Two kinds of intermolecular C—H...O hydrogen bonds exist in the crystal structure, with the apical nitrato ligands interacting with solvent molecules and adjacent molecules, respectively.
  Keywords: crystal structure; manganese(III) porphyrin; nitrate
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-22
  DOI: 10.1107/S2414314622003868
  Issue No: Vol. 7, No. 4 (2022)
1-(Phenylsulfonyl)-1H-indole-2-carbaldehyde
- Authors: Pineda; L.W., Ferllini, N., Cabezas, J.A.
  Abstract: The title compound, C15H11NO3S, was prepared by a facile synthetic approach. The N atom in the pyrrole ring of the indole moiety is pyramidal (bond-angle sum = 350.0°) and the phenyl ring of the phenylsulfonyl motif forms a dihedral angle of 76.24 (7)° with the mean plane of the indole ring system. In the crystal, C—H...O and C—H...π interactions link the molecules into a three-dimensional network.
  Keywords: crystal structure; heterocyclic system; indole; sulfanilamide
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-22
  DOI: 10.1107/S2414314622004011
  Issue No: Vol. 7, No. 4 (2022)
- Authors: Deng; M., Yin, Y., Wang, S.-S., Qi, X.-Y., Zhu, A.-X.
  Abstract: In the title compound, [NiCl2(C20H18N4)2]n, the Ni2+ cation is situated on an inversion center and is coordinated by two chloride ions and four imidazole N atoms of four different 4,4′-bis[(1H-imidazol-1-yl)methyl]-1,1′-biphenyl (BIMB), forming a slightly distorted octahedral geometry. Each BIMB ligand adopts a linear linker to connect Ni2+ ions, forming a two-dimensional layer with an sql network. In the crystal, neighboring layers repeat in an ABAB stacking mode, and weak intermolecular C—H...Cl hydrogen bonds between alternate layers lead to a three-dimensional, twofold interpenetrated, supramolecular framework with a pcu topology net.
  Keywords: crystal structure; coordination polymer; imidazole; nickel
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-12
  DOI: 10.1107/S2414314622003777
  Issue No: Vol. 7, No. 4 (2022)
5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene
(1/2)
- Authors: Bosch; E., Bowling, N.P.
  Abstract: The treatment of 5-{[4-(dimethylamino)phenyl]ethynyl}pyrimidine with a threefold excess of 1,2,3,5-tetrafluoro-4,6-diiodobenzene in dichloromethane solution led to the formation of the unexpected 1:2 title co-crystal, C14H13N3·2CF4I2. In the extended structure, two unique C—I...N halogen bonds from one of the 1,2,3,5-tetrafluoro-4,6-diiodobenzene molecules to the pyrimidine N atoms of the 5-{[4-(dimethylamino)phenyl]ethynyl}pyrimidine molecule generate [110] chains and layers of these chains are π-stacked along the a-axis direction. The second 1,2,3,5-tetrafluoro-4,6-diiodobenzene molecule resides in channels formed parallel to the a-axis direction between stacks of 5-{[4-(dimethylamino)phenyl]ethynyl}pyrimidine molecules and interacts with them via C—I...π(alkyne) contacts.
  Keywords: crystal structure; halogen bonding; co-crystal; 1,2,3,5-tetrafluoro-4,6-diiodobenzene solvate
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-12
  DOI: 10.1107/S2414314622003807
  Issue No: Vol. 7, No. 4 (2022)
Bis(oxotremorine) fumarate bis(fumaric acid)
- Authors: Naeem; M., Chadeayne, A.R., Golen, J.A., Manke, D.R.
  Abstract: The title compound, bis(oxotremorine) fumarate bis(fumaric acid) {systematic name: 1-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidinium (2E)-but-2-enedioate bis[(2E)-but-2-enedioic acid]}, 2C12H19N2O+·C4H2O42−·2C4H4O4, has a single oxotremorine monocation protonated at the pyrrolidine nitrogen, one fumaric acid molecule and half of a fumarate dianion in the asymmetric unit. The ions and fumaric acid molecules are held together by N—H...O and O–H-...O hydrogen bonds in 40-membered rings with graph-set notation R66(40). The fumarate ions join these rings into infinite chains along [001].
  Keywords: crystal structure; hydrogen bonding; alkynes; pyrrolidines; fumarates
  Citation: urn:issn:2414-3146
  PubDate: 2022-04-07
  DOI: 10.1107/S2414314622003649
  Issue No: Vol. 7, No. 4 (2022)