Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate

Ilia A. Guzei; Frankline K. Keter; Lara C. Spencer; James Darkwa

doi:10.1107/S0108270107031952

Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate

Ilia A. Guzei, Frankline K. Keter, Lara C. Spencer, James Darkwa

Chemical Sciences

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

5 Citations (Scopus)

Abstract

Five distinct strong hydrogen-bonding inter-actions of four kinds (N - H⋯Cl, N - H⋯O, O - H⋯N, and O - H⋯Cl) connect mol-ecules of the title compound, C9H18N3 ⁺·Cl ^-·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The inter-molecular inter-actions are efficiently described in terms of the first- through fifth-level graph sets. A two-dimensional constructor graph helps visualize the supra-molecular assembly.

Original language	English
Pages (from-to)	o481-o483
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	63
Issue number	8
DOIs	https://doi.org/10.1107/S0108270107031952
Publication status	Published - 14 Jun 2007

ASJC Scopus subject areas

General Biochemistry,Genetics and Molecular Biology

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title = "Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate",

abstract = "Five distinct strong hydrogen-bonding inter-actions of four kinds (N - H⋯Cl, N - H⋯O, O - H⋯N, and O - H⋯Cl) connect mol-ecules of the title compound, C9H18N3 +·Cl -·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The inter-molecular inter-actions are efficiently described in terms of the first- through fifth-level graph sets. A two-dimensional constructor graph helps visualize the supra-molecular assembly.",

author = "Guzei, {Ilia A.} and Keter, {Frankline K.} and Spencer, {Lara C.} and James Darkwa",

year = "2007",

month = jun,

day = "14",

doi = "10.1107/S0108270107031952",

language = "English",

volume = "63",

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journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

publisher = "International Union of Crystallography",

number = "8",

}

Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate. / Guzei, Ilia A.; Keter, Frankline K.; Spencer, Lara C. et al.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 63, No. 8, 14.06.2007, p. o481-o483.

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

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T1 - Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate

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AU - Keter, Frankline K.

AU - Spencer, Lara C.

AU - Darkwa, James

PY - 2007/6/14

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AB - Five distinct strong hydrogen-bonding inter-actions of four kinds (N - H⋯Cl, N - H⋯O, O - H⋯N, and O - H⋯Cl) connect mol-ecules of the title compound, C9H18N3 +·Cl -·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The inter-molecular inter-actions are efficiently described in terms of the first- through fifth-level graph sets. A two-dimensional constructor graph helps visualize the supra-molecular assembly.

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Constructor graph description of hydrogen bonding in a supra-molecular assembly of (3,5-dimethyl-1H-pyrazol-4-yl-methyl)-isopropyl-ammonium chloride monohydrate

Abstract

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