6'-bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one

Liupan Yang; Daxin Shi; Shu Chen; Hongxin Chai; Jiarong Li

doi:10.1107/S1600536811052299

6'-bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one

Liupan Yang, Daxin Shi, Shu Chen, Hongxin Chai, Jiarong Li^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Beijing Institute of Technology

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

Abstract

The title compound, C ₁₂H ₁₄BrN ₃O, is built up from two fused six-membered rings and one six-membered ring linked through a spiro C atom. The hydropyrimidine ring has an envelope conformation and the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N-H··· O and N-H··· N hydrogen bonds, forming a molecular tape along the b axis.

Original language	English
Pages (from-to)	o178
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	1
DOIs	https://doi.org/10.1107/S1600536811052299
Publication status	Published - Jan 2012

Keywords

Data-to-parameter ratio = 19.5
Mean α(C-C) = 0.003 Å
R factor = 0.035
Single-crystal X-ray study
T = 153 K
wR factor = 0.074

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title = "6'-bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one",

abstract = "The title compound, C 12H 14BrN 3O, is built up from two fused six-membered rings and one six-membered ring linked through a spiro C atom. The hydropyrimidine ring has an envelope conformation and the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N-H··· O and N-H··· N hydrogen bonds, forming a molecular tape along the b axis.",

keywords = "Data-to-parameter ratio = 19.5, Mean α(C-C) = 0.003 {\AA}, R factor = 0.035, Single-crystal X-ray study, T = 153 K, wR factor = 0.074",

author = "Liupan Yang and Daxin Shi and Shu Chen and Hongxin Chai and Jiarong Li",

year = "2012",

month = jan,

doi = "10.1107/S1600536811052299",

language = "English",

volume = "68",

pages = "o178",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "1",

}

TY - JOUR

T1 - 6'-bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one

AU - Yang, Liupan

AU - Shi, Daxin

AU - Chen, Shu

AU - Chai, Hongxin

AU - Li, Jiarong

PY - 2012/1

Y1 - 2012/1

N2 - The title compound, C 12H 14BrN 3O, is built up from two fused six-membered rings and one six-membered ring linked through a spiro C atom. The hydropyrimidine ring has an envelope conformation and the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N-H··· O and N-H··· N hydrogen bonds, forming a molecular tape along the b axis.

AB - The title compound, C 12H 14BrN 3O, is built up from two fused six-membered rings and one six-membered ring linked through a spiro C atom. The hydropyrimidine ring has an envelope conformation and the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N-H··· O and N-H··· N hydrogen bonds, forming a molecular tape along the b axis.

KW - Data-to-parameter ratio = 19.5

KW - Mean α(C-C) = 0.003 Å

KW - R factor = 0.035

KW - Single-crystal X-ray study

KW - T = 153 K

KW - wR factor = 0.074

UR - http://www.scopus.com/inward/record.url?scp=84855367921&partnerID=8YFLogxK

U2 - 10.1107/S1600536811052299

DO - 10.1107/S1600536811052299

M3 - Article

AN - SCOPUS:84855367921

SN - 1600-5368

VL - 68

SP - o178

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 1

ER -

6'-bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one

Abstract

Keywords

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