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^*

^*此作品的通讯作者

化学与化工学院

Beijing Institute of Technology

科研成果: 期刊稿件 › 文章 › 同行评审

4 引用（Scopus）

摘要

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.

源语言	英语
页（从-至）	o2546
期刊	Acta Crystallographica Section E: Structure Reports Online
卷	68
期	8
DOI	https://doi.org/10.1107/S1600536812031492
出版状态	已出版 - 8月 2012

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Chen, S., Shi, D., Liu, M., & Li, J. (2012). 7′-Amino-1′H-spiro-[cyclo-heptane-1,2′-pyrimido[4,5-d] pyrimidin]-4′(3′H)-one. Acta Crystallographica Section E: Structure Reports Online, 68(8), o2546. https://doi.org/10.1107/S1600536812031492

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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",

publisher = "International Union of Crystallography",

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 - http://www.scopus.com/inward/record.url?scp=84864703246&partnerID=8YFLogxK

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

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