N-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine

Alka Agarwal; Manavendra Kumar Singh; Suryabhan Singh; S. Bhattacharya; Satish K. Awasthi

doi:10.1107/S1600536811035136

N-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine

Alka Agarwal
, Manavendra Kumar Singh
, Suryabhan Singh
, S. Bhattacharya
, Satish K. Awasthi

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

Abstract

In the title compound, C ₁₀H ₈N ₂S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51 (1)°]. The crystal structure is stabilized by strong inter-molecular N-H⋯N hydrogen bonds and C-H⋯C, C-H⋯π and F-type aromatic-aromatic [centroid-centroid distance = 3.7826 (12) Å] interactions are also observed.

Original language	English
Pages (from-to)	o2637-o2638
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	10
DOIs	https://doi.org/10.1107/S1600536811035136
Publication status	Published - Oct 2011
Externally published	Yes

Keywords

data-to-parameter ratio = 19.2.
mean σ(C-C) = 0.003 Å
R factor = 0.043
single-crystal X-ray study
T = 293 K
wR factor = 0.131

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@article{a592930bb54c48e39344abb1e7a370f7,

title = "N-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine",

abstract = "In the title compound, C 10H 8N 2S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51 (1)°]. The crystal structure is stabilized by strong inter-molecular N-H⋯N hydrogen bonds and C-H⋯C, C-H⋯π and F-type aromatic-aromatic [centroid-centroid distance = 3.7826 (12) {\AA}] interactions are also observed.",

keywords = "data-to-parameter ratio = 19.2., mean σ(C-C) = 0.003 {\AA}, R factor = 0.043, single-crystal X-ray study, T = 293 K, wR factor = 0.131",

author = "Alka Agarwal and Singh, \{Manavendra Kumar\} and Suryabhan Singh and S. Bhattacharya and Awasthi, \{Satish K.\}",

year = "2011",

month = oct,

doi = "10.1107/S1600536811035136",

language = "English",

volume = "67",

pages = "o2637--o2638",

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

issn = "1600-5368",

number = "10",

}

TY - JOUR

T1 - N-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine

AU - Agarwal, Alka

AU - Singh, Manavendra Kumar

AU - Singh, Suryabhan

AU - Bhattacharya, S.

AU - Awasthi, Satish K.

PY - 2011/10

Y1 - 2011/10

N2 - In the title compound, C 10H 8N 2S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51 (1)°]. The crystal structure is stabilized by strong inter-molecular N-H⋯N hydrogen bonds and C-H⋯C, C-H⋯π and F-type aromatic-aromatic [centroid-centroid distance = 3.7826 (12) Å] interactions are also observed.

AB - In the title compound, C 10H 8N 2S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51 (1)°]. The crystal structure is stabilized by strong inter-molecular N-H⋯N hydrogen bonds and C-H⋯C, C-H⋯π and F-type aromatic-aromatic [centroid-centroid distance = 3.7826 (12) Å] interactions are also observed.

KW - data-to-parameter ratio = 19.2.

KW - mean σ(C-C) = 0.003 Å

KW - R factor = 0.043

KW - single-crystal X-ray study

KW - T = 293 K

KW - wR factor = 0.131

UR - https://www.scopus.com/pages/publications/80054990504

U2 - 10.1107/S1600536811035136

DO - 10.1107/S1600536811035136

M3 - Article

AN - SCOPUS:80054990504

SN - 1600-5368

VL - 67

SP - o2637-o2638

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 10

ER -

N-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine

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Keywords

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