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2,8-Dichloro-6H,12H-5,11-ethano-dibenzo[b,f][1,5]diazo-cine.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(14)Cl(2)N(2), the ethano-strapped 2,8-dichloro analogue of Tröger's base, the dihedral angle between the two benzene rings is 87.01 (3)°.

SUBMITTER: Faroughi M

PROVIDER: S-EPMC2914998 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6H,12H-5,11-Ethano-dibenzo[b,f][1,5]diazo-cine.

Project description:In the mol-ecule of the title compound, C(16)H(16)N(2), the ethano-strapped analogue of unsubstituted Tröger's base, the dihedral angle between the two benzene rings is 75.85 (4)°, the smallest angle measured for an ethano-strapped analogue.

| S-EPMC2960262 | biostudies-literature

2,8-Dibromo-4,10-dichloro-6H,12H-5,11-methano-dibenzo[b,f][1,5]diazo-cine.

Project description:The title compound, C(15)H(10)Br(2)Cl(2)N(2), a 2,8-dibromo-4,10-dichloro Tröger's base analogue derived from 4-bromo-2-chloro-aniline, has a dihedral angle of 110.9 (10)° between the two aryl rings, the largest yet measured for a simple dibenzo analogue.

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2,8-Dimesitylboranyl-6H,12H-5,11-methano-dibenzo[b,f][1,5]diazo-cine.

Project description:In the title compound, C(51)H(56)B(2)N(2), a substituted Tröger's base, the dihedral angle between the two benzene rings constituting the Tröger's base framework is 104.42?(6)°. The crystal structure is stabilized by C-H?? and weak C-H?N inter-actions.

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Dimethyl 6H,12H-5,11-methano-dibenzo[b,f][1,5]diazo-cine-2,8-diacetate.

Project description:The asymmetric unit of the title compound, C(21)H(22)N(2)O(4), a Tröger's base analogue derived from methyl 4-amino-phenyl-acetate, contains two crystallographically independent mol-ecules with dihedral angles of 88.44 (5) and 88.68 (6)° between the two benzene rings.

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Diethyl 6H,12H-5,11-methano-dibenzo[b,f][1,5]diazo-cine-1,7-dicarboxyl-ate.

Project description:In the mol-ecule of the title compound, C(21)H(22)N(2)O(4), the 1,7-diethyl ester analogue of Tröger's base, the dihedral angle between the two benzene rings is 93.16 (3)°; the mol-ecule is C(2) symmetric.

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Racemic 1,2,3,4,7,8,9,10-octa-fluoro-6H,12H-5,11-methano-dibenzo[b,f][1,5]diazo-cine: an octa-fluorinated analogue of Troger's base.

Project description:The title compound, C(15)H(6)F(8)N(2), possesses a non-crystal-lographic twofold axis. The dihedral angle between the two benzene rings is 98.4 (2)°. The crystal structure involves intermolecular C-H⋯F hydrogen bonds.

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5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazo-cine-6,12-dione acetic acid hemisolvate.

Project description:The mol-ecular structure of the title compound, C28H22N2O6S2·0.5CH3COOH, is built up from three fused rings, two six and one eight membered. The eight-membered ring shows a boat conformation and the dihedral angle between the two benzene groups attached thereto is 66.43 (11)°, resulting in a V-shaped geometry. Two tosyl substituents are bound to the N atoms. The planes through the tolyl rings are roughly perpendicular, as indicated by the dihedral angle of 82.44 (12)°. In the crystal, the mol-ecule and its inversion-related symmetry-equivalent are linked to the acetic acid solvent mol-ecule by non-classical O-H⋯O and C-H⋯O hydrogen bonds. Two half-occupied acetic acid solvent mol-ecules are disordered at the same site and linked by a center of symmetry.

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5,11-Dimethyl-dibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dione.

Project description:In the mol-ecule of the title compound, C(16)H(14)N(2)O(2), an N,N'-dimethyl-dianthranilide, the two methyl groups are disordered over two positions; site occupation factors were kept fixed as 0.75:0.25 and 0.65:0.35. The dihedral angle between the two benzene rings is 75.57 (3)°.

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7,9-Dichloro-6H,12H-indolo[2,1-b]quinazoline-6,12-dione.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(6)Cl(2)N(2)O(2). The conjugated four-ring system is essentially planar in each mol-ecule [maximum deviation = 0.089?(2)?Å]. In the crystal, weak inter-molecular C-H?Cl, C-H?O and C-H?·N inter-actions help to stabilize the packing.

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Crystal structure and Hirshfeld surface analysis of two 5,11-methano-benzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxa-diazo-cine derivatives.

Project description:In the title compounds, 9-bromo-2,5-dimethyl-11,12-di-hydro-5H-5,11-methano-benzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxa-diazo-cine, C13H13BrN4O (I), and 7-meth-oxy-5-methyl-2-(pyridin-4-yl)-11,12-di-hydro-5H-5,11-methano-benzo[g][1,2,4]tri-azolo[1,5-c][1,3,5]oxa-diazo-cine, C18H17N5O2 (II), the triazole ring is inclined to the benzene ring by 85.15 (9) and 76.98 (5)° in compounds I and II, respectively. In II, the pyridine ring is almost coplanar with the triazole ring, having a dihedral angle of 4.19 (8)°. In the crystal of I, pairs of N-H⋯N hydrogen bonds link the mol-ecules to form inversion dimers with an R 2 2(8) ring motif. The dimers are linked by C-H⋯π and C-Br⋯π inter-actions forming layers parallel to the bc plane. In the crystal of II, mol-ecules are linked by N-H⋯N and C-H⋯O hydrogen bonds forming chains propagating along the b-axis direction. The inter-molecular inter-actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, and the mol-ecular electrostatic potential surface was also analysed. The Hirshfeld surface analysis of I suggests that the most significant contributions to the crystal packing are H⋯H (42.4%) and O⋯H/H⋯O (17.9%) contacts. For compound II, the H⋯H (48.5%), C⋯H/H⋯C (19.6%) and N⋯H/H⋯N (16.9%) inter-actions are the most important contributions.

| S-EPMC6509692 | biostudies-literature

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