Crystal structure and Hirshfeld surface analysis of 1-(<i>tert</i>-butylamino)-3-mesitylpropan-2-ol hemihydrate

Khalilov, Ali N.; Хрусталев, В. Н.; Tereshina, Tatiana A.; Akkurt, Mehmet; Rzayev, R. M.; Akobirshoeva, Anzurat A.; Мамедов, И. Г.

doi:10.1107/s2056989022004297

Cited by 11 publications

(9 citation statements)

References 21 publications

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“…In this context and with respect to our on-going structural studies (Naghiyev et al, 2020(Naghiyev et al, , 2021(Naghiyev et al, , 2022Khalilov et al, 2022), we report here the crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate, C 32 H 29 N 5 O 2 ÁC 3 H 7 NO.…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate

et al. 2023

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In the title compound, C32H29N5O2·C3H7NO, the bicyclo[3.3.1]nonane ring system adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabicyclo[2.2.2]octane ring system exhibit a distorted boat conformation. Intermolecular C—H...O and C—H...N hydrogen bonds connect the molecules in the crystal, generating layers extending parallel to (100). These layers are connected by C—H...π interactions. A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H...H (52.5%), N...H/H...N (19.2%), C...H/H...C (18.8%) and O...H/H...O (8.3%) interactions.

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Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate

et al. 2023

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“…Thus, in the framework of our ongoing structural studies (Naghiyev et al, 2020(Naghiyev et al, , 2021(Naghiyev et al, , 2022Khalilov et al, 2022), we report the crystal structure and Hirshfeld surface analysis of the title compound, 2,2 0 -(phenylazanediyl)bis(1-phenylethan-1-one).…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 2,2′-(phenylazanediyl)bis(1-phenylethan-1-one)

et al. 2022

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The whole molecule of the title compound, C22H19NO2, is generated by twofold rotational symmetry. The N atom exhibits a trigonal-planar geometry and is located on the twofold rotation axis. In the crystal, molecules are linked by C—H...O contacts with R 2 2(12) ring motifs, and C—H...π interactions, resulting in ribbons along the c-axis direction. van der Waals interactions between these ribbons consolidate the molecular packing. Hirshfeld surface analysis indicates that the greatest contributions to the crystal packing are from H...H (45.5%), C...H/H...C (38.2%) and O...H/H...O (16.0%) interactions.

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“…Thus, in the framework of our ongoing structural studies (Naghiyev et al, 2020(Naghiyev et al, , 2021(Naghiyev et al, , 2022Khalilov et al, 2022), we report the crystal structure and Hirshfeld surface analysis of the racemic title compound, 4-bromo-2-[3-methyl-5-(2,4,6trimethylbenzyl)oxazolidin-2-yl]phenol.…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol

et al. 2022

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The title compound, C20H24BrNO2, is chiral at the carbon atoms on either side of the oxygen atom of the oxazolidine ring and crystallizes as a racemate. The 1,3-oxazolidine ring adopts an envelope conformation with the N atom in an endo position. The mean plane of the oxazolidine ring makes dihedral angles of 77.74 (10) and 45.50 (11)°, respectively, with the 4-bromophenol and 1,3,5-trimethylbenzene rings. In the crystal, adjacent molecules are connected via C—H...O hydrogen bonds and C—H...π interactions into layers parallel to the (200) plane. The packing is strengthened by van der Waals interactions between parallel molecular layers. A Hirshfeld surface analysis shows that H...H (58.2%), C...H/H...C (18.9%), and Br...H/H...Br (11.5%) interactions are the most abundant in the crystal packing.

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Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

Cited by 11 publications

References 21 publications

Crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate

Crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate

Crystal structure and Hirshfeld surface analysis of 2,2′-(phenylazanediyl)bis(1-phenylethan-1-one)

Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol

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