In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, molecules are linked by intermolecular N—H...O, C—H...O, C—H...F and C—H...Br hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions connect molecules into ribbons along the b-axis direction, consolidating the molecular packing. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.
26 March 2024 in Acta Crystallographica Section E Crystallographic Communications
The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions also strengthen the molecular packing.
20 February 2025 in Acta Crystallographica Section E Crystallographic Communications
The asymmetric unit of the title salt, C6H4FN2Se+·Cl−, contains one planar 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecular cation and a chloride anion. In the crystal, intermolecular N—H...Cl hydrogen bonds link the 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecules, which are arranged in parallel layers along (104), to the chloride anions. The cationic layers, in turn, are stacked along [001]. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...Cl/Cl...H (22.6%), H...F/F...H (13.9%), H...N/N...H (11.9%), H...C/C...H (10.2%) and H...H (7.7%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 44.80 Å3 and 5.91%, showing that there is no large cavity in the crystal packing.
10 May 2024 in Acta Crystallographica Section E Crystallographic Communications
In the title compound, C15H13NO3S, the molecular conformation is stable with the intramolecular O—H...O hydrogen bond forming a S(7) ring motif. In the crystal, molecules are connected by C—H...O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals interactions between the chains. A Hirshfeld surface analysis was undertaken to investigate and quantify the intermolecular interactions. The thiophene ring is disordered in a 0.9466 (17):0.0534 (17) ratio over two positions rotated by 180°.
6 June 2025 in Acta Crystallographica Section E Crystallographic Communications
In the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C—H...O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C—H...π and π–π interactions [centroid-to-centroid distance = 3.6155 (8) Å] between the furan rings. These dimers are linked by π–π interactions [centroid-to-centroid distance = 3.4041 (9) Å] between similar five-membered rings of the twelve-membered ring system, forming ribbons along the a-axis direction. As a result, the van der Waals interactions between the ribbons provide crystal cohesion. Hirshfeld surface analysis indicates that H...H (48.6%), F...H/H...F (19.8%) and C...H/H...C (19.0%) interactions make the most significant contributions to the crystal packing.
26 April 2024 in Acta Crystallographica Section E Crystallographic Communications
In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, molecules are linked by C—H...π interactions, forming ribbons along the a axis. Intermolecular C—H...O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0\overline{1}1) plane. The molecular packing is strengthened by van der Waals interactions between the layers. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H...H 46.0%, C...H/H...C 21.1%, O...H/H...O 20.6% and S...H/H...S 9.0%.