1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one

J. Muthukumaran; M. Nachiappan; S. Chitra; P. Manisankar; Suman Bhattacharya; S. Muthusubramanian; R. Krishna; J. Jeyakanthan

doi:10.1107/S1600536811027103

1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one

J. Muthukumaran
, M. Nachiappan
, S. Chitra
, P. Manisankar
, Suman Bhattacharya
, S. Muthusubramanian
, R. Krishna
, J. Jeyakanthan

Pondicherry University
Alagappa University
Madurai Kamaraj University

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

Abstract

In the title compound, C ₂₅H ₂₂N ₂OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetrahydro-1,2,3- benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C - H⋯O and C - H⋯π interactions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å.

Original language	English
Pages (from-to)	o2010-o2011
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	8
DOIs	https://doi.org/10.1107/S1600536811027103
Publication status	Published - Aug 2011
Externally published	Yes

Keywords

data-to-parameter ratio = 13.7
mean σ(CC) = 0.004 Å
R factor = 0.038
single-crystal X-ray study
T = 293 K
wR factor = 0.096

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@article{5d3f8be36f1341ca8f47735ff8770928,

title = "1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one",

abstract = "In the title compound, C 25H 22N 2OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetrahydro-1,2,3- benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 {\AA}). There are weak inter-molecular C - H⋯O and C - H⋯π interactions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) {\AA}.",

keywords = "data-to-parameter ratio = 13.7, mean σ(CC) = 0.004 {\AA}, R factor = 0.038, single-crystal X-ray study, T = 293 K, wR factor = 0.096",

author = "J. Muthukumaran and M. Nachiappan and S. Chitra and P. Manisankar and Suman Bhattacharya and S. Muthusubramanian and R. Krishna and J. Jeyakanthan",

year = "2011",

month = aug,

doi = "10.1107/S1600536811027103",

language = "English",

volume = "67",

pages = "o2010--o2011",

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

issn = "1600-5368",

number = "8",

}

TY - JOUR

T1 - 1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one

AU - Muthukumaran, J.

AU - Nachiappan, M.

AU - Chitra, S.

AU - Manisankar, P.

AU - Bhattacharya, Suman

AU - Muthusubramanian, S.

AU - Krishna, R.

AU - Jeyakanthan, J.

PY - 2011/8

Y1 - 2011/8

N2 - In the title compound, C 25H 22N 2OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetrahydro-1,2,3- benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C - H⋯O and C - H⋯π interactions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å.

AB - In the title compound, C 25H 22N 2OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetrahydro-1,2,3- benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C - H⋯O and C - H⋯π interactions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å.

KW - data-to-parameter ratio = 13.7

KW - mean σ(CC) = 0.004 Å

KW - R factor = 0.038

KW - single-crystal X-ray study

KW - T = 293 K

KW - wR factor = 0.096

UR - https://www.scopus.com/pages/publications/80051483747

U2 - 10.1107/S1600536811027103

DO - 10.1107/S1600536811027103

M3 - Article

AN - SCOPUS:80051483747

SN - 1600-5368

VL - 67

SP - o2010-o2011

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 8

ER -

1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one

Abstract

Keywords

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