TY - JOUR
T1 - Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride
AU - Morales-Toyo, Miguel
AU - Cubillán, Néstor
AU - Glidewell, Christopher
AU - Seijas, Luis
AU - Boscan-Melean, Katerin
AU - Restrepo, Jelen
N1 - Funding Information:
The authors thank Fondo Nacional de Ciencia, Tecnología e Innovación (FONACIT Proyecto de apoyo a Grupos No. G-2005000403). Proyecto 1063, Instituto Venezolano de Investigaciones Científicas (IVIC). N. Cubillan would like to thank Vicerrectoría de Investigaciones, Extensión y Proyección Social of Universidad del Atlántico (Grant CB20-FGI2016, Colombia) for partial financial support of this work. We thank Dr. Duane Choquesillo-Lazarte (LEC, IACT-CSIC), for the data collection of compound 4-Hydrazinobenzoic acid hydrochloride (4-HBA).
Funding Information:
The authors thank Fondo Nacional de Ciencia, Tecnología e Innovación (FONACIT Proyecto de apoyo a Grupos No. G-2005000403 ). Proyecto 1063, Instituto Venezolano de Investigaciones Científicas (IVIC) . N. Cubillan would like to thank Vicerrectoría de Investigaciones , Extensión y Proyección Social of Universidad del Atlántico (Grant CB20-FGI2016, Colombia ) for partial financial support of this work. We thank Dr. Duane Choquesillo-Lazarte (LEC, IACT-CSIC), for the data collection of compound 4-Hydrazinobenzoic acid hydrochloride (4-HBA).
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2020/2/5
Y1 - 2020/2/5
N2 - The compound 4-hydrazinobenzoic acid hydrochloride (4-HBA), C7H9O2·Cl, has been synthesized and characterized by FT-IR spectroscopy and X-ray diffraction. The compound crystallizes as colourless needles in a triclinic system, space group Pˉ1 (Z = 2), and cell parameters a = 3.7176 (4) Å, b = 5.9133 (4) Å, c = 19.3631 (13) Å, α = 87.841 (6), β = 88.924 (6), γ = 80.203 (6), V = 419.13 (6) Å3. The component ions are linked by a combination of O–H⋯O, N–H⋯N and N–H⋯Cl hydrogen bonds to form a complex three-dimensional framework structure in which each cation is linked to two other cations, by O–H⋯O and N–H⋯N hydrogen bonds, and to five different anions, while each anion accepts hydrogen bonds from five different cations. Calculations on the Non-Covalent Interactions (NCI) amplify the crystallographic conclusions concerning the interionic hydrogen bonds.
AB - The compound 4-hydrazinobenzoic acid hydrochloride (4-HBA), C7H9O2·Cl, has been synthesized and characterized by FT-IR spectroscopy and X-ray diffraction. The compound crystallizes as colourless needles in a triclinic system, space group Pˉ1 (Z = 2), and cell parameters a = 3.7176 (4) Å, b = 5.9133 (4) Å, c = 19.3631 (13) Å, α = 87.841 (6), β = 88.924 (6), γ = 80.203 (6), V = 419.13 (6) Å3. The component ions are linked by a combination of O–H⋯O, N–H⋯N and N–H⋯Cl hydrogen bonds to form a complex three-dimensional framework structure in which each cation is linked to two other cations, by O–H⋯O and N–H⋯N hydrogen bonds, and to five different anions, while each anion accepts hydrogen bonds from five different cations. Calculations on the Non-Covalent Interactions (NCI) amplify the crystallographic conclusions concerning the interionic hydrogen bonds.
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U2 - 10.1016/j.molstruc.2019.127154
DO - 10.1016/j.molstruc.2019.127154
M3 - Article
AN - SCOPUS:85073025220
SN - 0022-2860
VL - 1201
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
M1 - 127154
ER -