7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one

Shu Chen; Daxin Shi; Mingxing Liu; Jiarong Li

doi:10.1107/S1600536812031492

7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one

Shu Chen
, Daxin Shi
, Mingxing Liu
, Jiarong Li^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

School of Chemical Engineering and the Environment
Beijing Institute of Technology

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

4 Citations (Scopus)

Abstract

The title compound, C12H17N5O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.

Original language	English
Pages (from-to)	o2546
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	8
DOIs	https://doi.org/10.1107/S1600536812031492
Publication status	Published - Aug 2012

Keywords

R factor = 0.054
T = 153 K
data-to-parameter ratio = 19.2
mean σ(C-C) = 0.002 Å
single-crystal X-ray study
wR factor = 0.129

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title = "7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one",

abstract = "The title compound, C12H17N5O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.",

keywords = "R factor = 0.054, T = 153 K, data-to-parameter ratio = 19.2, mean σ(C-C) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.129",

author = "Shu Chen and Daxin Shi and Mingxing Liu and Jiarong Li",

year = "2012",

month = aug,

doi = "10.1107/S1600536812031492",

language = "English",

volume = "68",

pages = "o2546",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

number = "8",

}

TY - JOUR

T1 - 7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one

AU - Chen, Shu

AU - Shi, Daxin

AU - Liu, Mingxing

AU - Li, Jiarong

PY - 2012/8

Y1 - 2012/8

N2 - The title compound, C12H17N5O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.

AB - The title compound, C12H17N5O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.

KW - R factor = 0.054

KW - T = 153 K

KW - data-to-parameter ratio = 19.2

KW - mean σ(C-C) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.129

UR - https://www.scopus.com/pages/publications/84864703246

U2 - 10.1107/S1600536812031492

DO - 10.1107/S1600536812031492

M3 - Article

AN - SCOPUS:84864703246

SN - 1600-5368

VL - 68

SP - o2546

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 8

ER -

7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one

Abstract

Keywords

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