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Bis[3-(2H-benzotriazol-2-yl)-2-(prop-2-yn-yloxy)-5-(2,4,4-trimethyl-pentan-2-yl)phen-yl]methane.

ABSTRACT: In the title compound, C(47)H(54)N(6)O(2), the C-C-C bond angle between the rings is 108.40 (13)°. One aryl ring aligned at 38.5 (1)° with respect to the N-heterocyclic substituent and the other at 56.0 (1)° with respect to its substituent. In the crystal, adjacent mol-ecules are linked by C-H⋯N hydrogen bonds, forming a chain extending along the a axis.

SUBMITTER: Qadri T

PROVIDER: S-EPMC3051933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(2H-Benzotriazol-2-yl)-6-[(dicyclo-hexyl-amino)-meth-yl]-4-(2,4,4-trimethyl-pentan-2-yl)phenol.

Project description:In the title mol-ecule, C(33)H(48)N(4)O, the dihedral angle between the mean planes of the benzotriazole ring system [maximun deviation = 0.038?(2)?Å] and the phenol ring is 16.6?(2)°. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazole groups.

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Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

Project description:The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°].

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Project description:The title compound, C(18)H(14)O(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mol-ecule lies on an inversion center, located at the mid-point of the central C-C bond. As a result, the benzene rings are coplanar. No classical hydrogen bonds or stacking inter-actions are observed in the crystal structure.

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N-[4-(Prop-2-yn-yloxy)phen-yl]maleimide.

Project description:In the title compound, C(13)H(9)NO(3), the dihedral angle between the benzene and maleimide rings is 64.1 (2)°. In the crystal structure, mol-ecules interact via C-H⋯O inter-actions.

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Project description:In the title compound, C(26)H(18)O(2), the mol-ecule is located on a twofold rotation axis. The two naphthyl ring planes in the mol-ecule are nearly perpendicular to each other [dihedral angle = 82.42 (1)°. No classical hydrogen bonds or aromatic π-π stacking inter-actions were observed.

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Project description:In the title compound, C14H14O4, the prop-2-yn-yloxy O-C-C C plane [maximum deviation = 0.0116 (12) Å] forms a dihedral angle of 78.44 (9)° with the benzofuran-3(2H)-one ring system. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming a tape along the a-axis direction. C-H⋯O inter-actions are observed between the tapes.

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4-[3-(2H-Benzotriazol-2-yl)prop-oxy]-3-methoxy-benzaldehyde.

Project description:In the title compound, C(17)H(17)N(3)O(3), the 3-methoxy-benzalde-hyde group and the benzotriazole fragment are connected through a flexible oxypropyl chain. The O-C-C-C torsion angle in the central link is -63.9?(2)°, while the plane of the benzene ring of the 3-methoxy-benzaldehyde substituent forms a dihedral angle of 56.4?(4)° with the benzotriazole plane.

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2,3-Bis(prop-2-yn-yloxy)naphthalene.

Project description:In the crystal structure of the title compound, C(16)H(12)O(2), no classical hydrogen bonds or aromatic π-π stacking inter-actions were observed. The mol-ecules are linked into a three-dimensional framework by a combination of C-H⋯O and C-H⋯π(arene) hydrogen bonds.

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2,6-Bis(prop-2-yn-yloxy)naphthalene.

Project description:The title compound, C(16)H(12)O(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mol-ecule lies on an inversion centre, located at the mid-point of the naphthyl group. All non-H atoms are almost coplanar, with a mean deviation from the least-squares plane of 0.0536 (11) Å. Mol-ecules are linked into a three-dimensional framework by a combination of C-H⋯O and C-H⋯π(arene) hydrogen bonds.

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Bis[5-chloro-2-(prop-2-yn-1-yl-oxy)phen-yl]methane.

Project description:The mol-ecule of the title compound, C(19)H(14)Cl(2)O(2), has two benzene rings connected to a methyl-ene C atom, and the rings are aligned at 66.3 (1)°. Inter-molecular C-H⋯π and π-π stacking inter-actions are observed in the crystal structure, the centroid-centroid distances between parallel benzene rings being 3.7529 (12) and 3.6201 (12) Å, respectively.

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