10'-Chloro-3′,4′-dihydro-2′H-spiro[cyclopropane-1, 7'(6′H)-pyrimido[2,1-a]isoquinolin]-6′-one

Kensuke Okuda, Takashi Hirota, Yuta Nishina, Hiroyuki Ishida

Research output: Contribution to journalArticle

Abstract

In the title compound, C14FH13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44(11)°. In the crystal, molecules are linked by a weak C-H⋯π interaction, forming a helical chain along the c axis.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number11
DOIs
Publication statusPublished - Nov 2012

Fingerprint

cyclopropane
Dihedral angle
Conformations
Atoms
Crystals
Molecules
rings
methylene
dihedral angle
envelopes
crystals
atoms
isoquinoline
molecules
interactions

Keywords

  • data-to-parameter ratio = 20.6
  • mean ̄(C-C) = 0.002 Å
  • R factor = 0.031
  • single-crystal X-ray study
  • T = 180 K
  • wR factor = 0.079

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

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title = "10'-Chloro-3′,4′-dihydro-2′H-spiro[cyclopropane-1, 7'(6′H)-pyrimido[2,1-a]isoquinolin]-6′-one",
abstract = "In the title compound, C14FH13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44(11)°. In the crystal, molecules are linked by a weak C-H⋯π interaction, forming a helical chain along the c axis.",
keywords = "data-to-parameter ratio = 20.6, mean ̄(C-C) = 0.002 {\AA}, R factor = 0.031, single-crystal X-ray study, T = 180 K, wR factor = 0.079",
author = "Kensuke Okuda and Takashi Hirota and Yuta Nishina and Hiroyuki Ishida",
year = "2012",
month = "11",
doi = "10.1107/S1600536812044261",
language = "English",
volume = "68",
journal = "Acta Crystallographica Section E: Structure Reports Online",
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publisher = "International Union of Crystallography",
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TY - JOUR

T1 - 10'-Chloro-3′,4′-dihydro-2′H-spiro[cyclopropane-1, 7'(6′H)-pyrimido[2,1-a]isoquinolin]-6′-one

AU - Okuda, Kensuke

AU - Hirota, Takashi

AU - Nishina, Yuta

AU - Ishida, Hiroyuki

PY - 2012/11

Y1 - 2012/11

N2 - In the title compound, C14FH13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44(11)°. In the crystal, molecules are linked by a weak C-H⋯π interaction, forming a helical chain along the c axis.

AB - In the title compound, C14FH13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44(11)°. In the crystal, molecules are linked by a weak C-H⋯π interaction, forming a helical chain along the c axis.

KW - data-to-parameter ratio = 20.6

KW - mean ̄(C-C) = 0.002 Å

KW - R factor = 0.031

KW - single-crystal X-ray study

KW - T = 180 K

KW - wR factor = 0.079

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DO - 10.1107/S1600536812044261

M3 - Article

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VL - 68

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

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