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1,3-Bis(2-ethoxy-phen-yl)triazene methanol 0.33-solvate.

ABSTRACT: There are three independent mol-ecules of 1,3-bis-(2-ethoxy-phen-yl)triazene and a mol-ecule of methanol in the asymmetric unit of the title compound, C(16)H(19)N(3)O(2)·0.33CH(3)OH. Two mol-ecules related by a non-crystallographic pseudo-twofold rotation axis are linked via distinct inter-molecular N-H?N hydrogen bonds, leading to the formation of a dimer with an R(2) (2)(8) graph set. The third mol-ecule is connected to the methanol mol-ecule by O-H?N and N-H?O hydrogen bonds. There are a number of weak C-H?? inter-actions, with H?? distances ranging from 2.74 to 2.89?Å between the C-H groups and the aromatic benzene rings.

SUBMITTER: Rofouei MK

PROVIDER: S-EPMC2970393 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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1,3-Bis(2-ethoxy-phen-yl)triazene methanol 0.33-solvate.

Rofouei Mohammad Kazem MK Melardi Mohammad Reza MR Salemi Yasaman Y Attar Gharamaleki Jafar J

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

There are three independent mol-ecules of 1,3-bis-(2-ethoxy-phen-yl)triazene and a mol-ecule of methanol in the asymmetric unit of the title compound, C(16)H(19)N(3)O(2)·0.33CH(3)OH. Two mol-ecules related by a non-crystallographic pseudo-twofold rotation axis are linked via distinct inter-molecular N-H⋯N hydrogen bonds, leading to the formation of a dimer with an R(2) (2)(8) graph set. The third mol-ecule is connected to the methanol mol-ecule by O-H⋯N and N-H⋯O hydrogen bonds. There are a numb ...[more]

PMID: 21577855

Similar Datasets

1,3-Bis(2-ethoxy-phen-yl)triazene.

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Project description:The title compound, 6C5H9N2 (+)·3SiF6 (2-)·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2 (+)·SiF6 (2-) (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexa-gonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bis-ected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF6 (2-) dianions (Si atoms are located on the 3.2 and 6/m inversion centres), and one-twelfth of a methanol mol-ecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions). In (I), all F atoms of 3.2-located SiF6 (2-) dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These 'pillar' rods are, in turn, F?H inter-linked through SiF6 (2-) dianions disordered around the 6/m centres. The twelvefold disordered methanol mol-ecules are appended to this array by O-H?F hydrogen bonds to the 6/m located SiF6 (2-) dianions. In terms of graph-set notation, the first and second level networks in (I) are N 1 = C 2 (2)(7)[3R 4 (4)(14)]D 2 (2)(4) and N 2 = D 2 (2)(5) (C-H?O hydrogen bonds are not considered). After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å(-3)) residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155] revealed two voids per unit cell, indicative of the presence of the solvent methanol mol-ecule disordered about the 622 inversion centre.

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Project description:The crystal structure of the title compound, (C(6)F(5))(2)N(3)H, is stabilized by N-H?N hydrogen bonding, forming centrosymmetric dimers organized in a herringbone motif. Important geometrical parameters are N-N = 1.272?(2) and 1.330?(2)?Å and N-N-N = 112.56?(15)°. The dihedral angle between C(6)F(5) groups is 21.22?(9)°. The room temperature structure was reported by Leman et al. (1993). Inorg. Chem.32, 4324-4336]. In the current determination, the data were collected to a higher ? angle, resulting in higher precision for the C-C bond lengths(0.001-0.005 versus 0.003?Å).

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catena-Poly[[zinc(II)-bis-[?-1,3-bis-(imidazol-1-ylmeth-yl)benzene-?N:N]] dinitrate methanol solvate].

Project description:In the title coordination compound, {[Zn(C(14)H(14)N(4))(2)](NO(3))(2)·CH(3)OH}(n), the cationic complex forms a looped chain containing 24-membered M(2)L(2) rings. The ligand adopts two distinct conformations that are alternated in subsequent loops. The Zn(II) ion displays a slightly distorted tetra-hedral geometry being coordinated by four N atoms from four 1,3-bis-(imidazol-1-ylmeth-yl)benzene ligands. The nitrate ions and methanol solvent mol-ecules are located between adjacent double-stranded chains and participate in an extensive net of O-H?O and C-H?O hydrogen bonds. The resulting three-dimensional assembly is further stabilized by ?-? inter-actions between benzene rings [centroid-centroid distances = 3.878?(2) and 3.853?(2)?Å].

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2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane.

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