2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile

Lee G. Madeley; Andreas Lemmerer; Joseph P. Michael

doi:10.1107/S1600536812045345

2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile

Lee G. Madeley, Andreas Lemmerer, Joseph P. Michael

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

Abstract

The asymmetric unit of the title compound, C12H10N2, which may serve as a model for mitosenes, contains two independent molecules. The conformation of the five-membered rings in both molecules is envelope, with the central CH2-CH2-CH2 C atom at the flap in each case. In the crystal, they interact by a combination of weak C-H⋯N and π-π interactions [centroid-centroid distances = 3.616 (1) and 3.499 (1) Å] and C-H⋯π contacts.

Original language	English
Pages (from-to)	o3306
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	12
DOIs	https://doi.org/10.1107/S1600536812045345
State	Published - 1 Dec 2012
Externally published	Yes

Keywords

data-to-parameter ratio = 13
mean ω(C-C) = 0.002 Å
R factor = 0.038
single-crystal X-ray study
T = 173 K
wR factor = 0.097

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile",

abstract = "The asymmetric unit of the title compound, C12H10N2, which may serve as a model for mitosenes, contains two independent molecules. The conformation of the five-membered rings in both molecules is envelope, with the central CH2-CH2-CH2 C atom at the flap in each case. In the crystal, they interact by a combination of weak C-H⋯N and π-π interactions [centroid-centroid distances = 3.616 (1) and 3.499 (1) {\AA}] and C-H⋯π contacts.",

keywords = "data-to-parameter ratio = 13, mean ω(C-C) = 0.002 {\AA}, R factor = 0.038, single-crystal X-ray study, T = 173 K, wR factor = 0.097",

author = "Madeley, {Lee G.} and Andreas Lemmerer and Michael, {Joseph P.}",

year = "2012",

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doi = "10.1107/S1600536812045345",

language = "English",

volume = "68",

pages = "o3306",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

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TY - JOUR

T1 - 2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile

AU - Madeley, Lee G.

AU - Lemmerer, Andreas

AU - Michael, Joseph P.

PY - 2012/12/1

Y1 - 2012/12/1

N2 - The asymmetric unit of the title compound, C12H10N2, which may serve as a model for mitosenes, contains two independent molecules. The conformation of the five-membered rings in both molecules is envelope, with the central CH2-CH2-CH2 C atom at the flap in each case. In the crystal, they interact by a combination of weak C-H⋯N and π-π interactions [centroid-centroid distances = 3.616 (1) and 3.499 (1) Å] and C-H⋯π contacts.

AB - The asymmetric unit of the title compound, C12H10N2, which may serve as a model for mitosenes, contains two independent molecules. The conformation of the five-membered rings in both molecules is envelope, with the central CH2-CH2-CH2 C atom at the flap in each case. In the crystal, they interact by a combination of weak C-H⋯N and π-π interactions [centroid-centroid distances = 3.616 (1) and 3.499 (1) Å] and C-H⋯π contacts.

KW - data-to-parameter ratio = 13

KW - mean ω(C-C) = 0.002 Å

KW - R factor = 0.038

KW - single-crystal X-ray study

KW - T = 173 K

KW - wR factor = 0.097

UR - http://www.scopus.com/inward/record.url?scp=84870862827&partnerID=8YFLogxK

U2 - 10.1107/S1600536812045345

DO - 10.1107/S1600536812045345

M3 - Article

AN - SCOPUS:84870862827

SN - 1600-5368

VL - 68

SP - o3306

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -

2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile

Abstract

Keywords

ASJC Scopus subject areas

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