In the title compound, C16H12N2O2·0.5CH3OH, the H atom of the -OH group has been transfered to the N atom in the azo group, forming a zwitterion. Hence, there is an intra-molecular N-H⋯O, rather than an O-H⋯N, hydrogen bond in the mol-ecule. The mol-ecule is almost planar, the dihedral angle between the benzene ring and the mean plane of the naphthalene ring system being 4.51 (6)°. In the crystal, mol-ecules are linked to and bridged by O-H⋯O hydrogen bonds involving the methanol mol-ecule, which is located about a twofold rotation axis, and hence half-occupied, forming zigzag chains along [001]. Mol-ecules are also linked via C-H⋯π and π-π inter-actions, the latter involving adjacent benzene and naphthalene rings and having a centroid-centroid distance of 3.6616 (13) Å, forming a three-dimensional network.
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http://dx.doi.org/10.1107/S1600536813012245 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
January 2025
Oligometrics, Inc., 2510 47th Street, Suite 208, Boulder, CO, 80301, USA.
The X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water mol-ecules and two aceto-nitrile mol-ecules. The structure of 4-{[(4-{[1-({[(3,4-di-meth-oxy-phen-yl)meth-yl](3-acetamido-phen-yl)carbamo-yl}meth-yl)-1-1,2,3-triazol-4-yl]meth-oxy}-3-meth-oxy-phen-yl)meth-yl]amino}-benzoic acid-aceto-nitrile-water (1/2/2), CHNO·2CHN·2HO, features amine-linked aromatic groups that have a variety functionality including a carb-oxy-lic acid, an acetamido group, and meth-oxy ethers. All -H groups, and seven out of ten heteroatoms with available lone-pair electrons, participate in hydrogen bonding, with the aid of dimer-bridging water mol-ecules and aceto-nitrile mol-ecules whose methyl groups form close contacts with oxygen atoms.
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January 2025
Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553, Japan.
The asymmetric unit of the title compound is composed of one host mol-ecule, -4-(1 ,5 -3-aza-1,5(3,9)-dicarbazola-cyclo-octa-phane-3-yl)benzo-nitrile and one di-chloro-methane solvate mol-ecule, CHN·CHCl. The host mol-ecule possesses a planar chirality but crystallizes as a racemate in the space group 2/. It adopts an -configuration, in which two carbazole rings are partially overlapped with a parallel orientation.
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January 2025
Department of Biotechnology SRM Institute of Science and Technology, Kattankulathur Campus Chengalpattu Tamil Nadu - 603203 India.
In the crystal structure of the title chalcone derivative, CHNO, the mol-ecule adopts an s- conformation with respect to the C=O and C=C bonds. The tri-phenyl-amine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.
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January 2025
Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, Morocco.
In the title mol-ecule, CHNO, the substituents on the phenyl ring are rotated slightly out of the mean plane of the ring but the piperidine moiety is nearly perpendicular to that plane. In the crystal, C-H⋯O hydrogen bonds form chains of mol-ecules extending along the -axis direction, which are linked by C=O⋯π(ring) inter-actions. A Hirshfeld surface analysis showed the majority of inter-molecular inter-actions to be H⋯H contacts while O⋯H/H⋯O contacts are the second most numerous.
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October 2024
Département de Chimie, Université de Montréal, Complexe des sciences, 1375, Avenue Thérèse-Lavoie-Roux, Montréal, Québec H2V 0B3, Canada.
The title compound, CHBrNO, crystallizes with two similar mol-ecules in the asymmetric unit. The extended structure features dimers linked by pairs of N-H⋯O and C-H⋯O hydrogen bonds. The HNCNO moiety of the title compound shows delocalization over the N-C-N part, as evidenced by the similar C-N bond distances.
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