Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine

Fabiola Téllez; Raúl Ramírez-Trejo; Rebeca Vieto-Peña; Galdina V. Suárez-Moreno; Raúl Colorado-Peralta; Angelina Flores-Parra; Rosalinda Contreras; Noráh Barba-Behrens

doi:10.1002/zaac.201300093

Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine

Fabiola Téllez, Raúl Ramírez-Trejo, Rebeca Vieto-Peña, Galdina V. Suárez-Moreno, Raúl Colorado-Peralta, Angelina Flores-Parra, Rosalinda Contreras, Noráh Barba-Behrens

Research output: Contribution to journal › Article › peer-review

Abstract

A novel [(1,3-benzoxazol-2-yl)-(5-chloro-1,3-benzoxazol-2-yl)]amine (L) (1) compound was synthesized. The molecule has a nitrogen atom between 1,3-benzoxazol-2-yl and 5-chloro-1,3-benzoxazol-2-yl groups. For compound 1 there are twelve possible conformers and tautomers. Ab initio calculations were performed in order to investigate the more stable structures. Three crystals of compound 1 were obtained in different media, where compound 1 is associated by hydrogen bonding to H₂O (1a), THF (1b), or o-aminophenol (1c). Their X-ray diffraction analyses are reported. The synthesis and structural study of the coordination compounds [Co(L)₂(H₂O)] (3) and [Ni(L)₂(H₂O)₂] (4) are discussed.

Original language	English
Pages (from-to)	1438-1444
Number of pages	7
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	639
Issue number	8-9
DOIs	https://doi.org/10.1002/zaac.201300093
State	Published - Jul 2013
Externally published	Yes

Keywords

Ab initio calculations
Bis-1, 3-benzoxazol-2-yl-amine
Co and Ni coordination compounds

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10.1002/zaac.201300093

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Téllez, F., Ramírez-Trejo, R., Vieto-Peña, R., Suárez-Moreno, G. V., Colorado-Peralta, R., Flores-Parra, A., Contreras, R., & Barba-Behrens, N. (2013). Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine. Zeitschrift fur Anorganische und Allgemeine Chemie, 639(8-9), 1438-1444. https://doi.org/10.1002/zaac.201300093

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title = "Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine",

abstract = "A novel [(1,3-benzoxazol-2-yl)-(5-chloro-1,3-benzoxazol-2-yl)]amine (L) (1) compound was synthesized. The molecule has a nitrogen atom between 1,3-benzoxazol-2-yl and 5-chloro-1,3-benzoxazol-2-yl groups. For compound 1 there are twelve possible conformers and tautomers. Ab initio calculations were performed in order to investigate the more stable structures. Three crystals of compound 1 were obtained in different media, where compound 1 is associated by hydrogen bonding to H2O (1a), THF (1b), or o-aminophenol (1c). Their X-ray diffraction analyses are reported. The synthesis and structural study of the coordination compounds [Co(L)2(H2O)] (3) and [Ni(L)2(H2O)2] (4) are discussed.",

keywords = "Ab initio calculations, Bis-1, 3-benzoxazol-2-yl-amine, Co and Ni coordination compounds",

author = "Fabiola T{\'e}llez and Ra{\'u}l Ram{\'i}rez-Trejo and Rebeca Vieto-Pe{\~n}a and Su{\'a}rez-Moreno, {Galdina V.} and Ra{\'u}l Colorado-Peralta and Angelina Flores-Parra and Rosalinda Contreras and Nor{\'a}h Barba-Behrens",

year = "2013",

month = jul,

doi = "10.1002/zaac.201300093",

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volume = "639",

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Téllez, F, Ramírez-Trejo, R, Vieto-Peña, R, Suárez-Moreno, GV, Colorado-Peralta, R, Flores-Parra, A, Contreras, R & Barba-Behrens, N 2013, 'Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine', Zeitschrift fur Anorganische und Allgemeine Chemie, vol. 639, no. 8-9, pp. 1438-1444. https://doi.org/10.1002/zaac.201300093

TY - JOUR

T1 - Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine

AU - Téllez, Fabiola

AU - Ramírez-Trejo, Raúl

AU - Vieto-Peña, Rebeca

AU - Suárez-Moreno, Galdina V.

AU - Colorado-Peralta, Raúl

AU - Flores-Parra, Angelina

AU - Contreras, Rosalinda

AU - Barba-Behrens, Noráh

PY - 2013/7

Y1 - 2013/7

N2 - A novel [(1,3-benzoxazol-2-yl)-(5-chloro-1,3-benzoxazol-2-yl)]amine (L) (1) compound was synthesized. The molecule has a nitrogen atom between 1,3-benzoxazol-2-yl and 5-chloro-1,3-benzoxazol-2-yl groups. For compound 1 there are twelve possible conformers and tautomers. Ab initio calculations were performed in order to investigate the more stable structures. Three crystals of compound 1 were obtained in different media, where compound 1 is associated by hydrogen bonding to H2O (1a), THF (1b), or o-aminophenol (1c). Their X-ray diffraction analyses are reported. The synthesis and structural study of the coordination compounds [Co(L)2(H2O)] (3) and [Ni(L)2(H2O)2] (4) are discussed.

AB - A novel [(1,3-benzoxazol-2-yl)-(5-chloro-1,3-benzoxazol-2-yl)]amine (L) (1) compound was synthesized. The molecule has a nitrogen atom between 1,3-benzoxazol-2-yl and 5-chloro-1,3-benzoxazol-2-yl groups. For compound 1 there are twelve possible conformers and tautomers. Ab initio calculations were performed in order to investigate the more stable structures. Three crystals of compound 1 were obtained in different media, where compound 1 is associated by hydrogen bonding to H2O (1a), THF (1b), or o-aminophenol (1c). Their X-ray diffraction analyses are reported. The synthesis and structural study of the coordination compounds [Co(L)2(H2O)] (3) and [Ni(L)2(H2O)2] (4) are discussed.

KW - Ab initio calculations

KW - Bis-1, 3-benzoxazol-2-yl-amine

KW - Co and Ni coordination compounds

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U2 - 10.1002/zaac.201300093

DO - 10.1002/zaac.201300093

M3 - Artículo

SN - 0044-2313

VL - 639

SP - 1438

EP - 1444

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 8-9

ER -

Structural analysis and coordination compounds of [(1,3-Benzoxazol-2-yl)- (5-chloro-1,3-benzoxazol-2-yl)]amine

Abstract

Keywords

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