Structural analysis of chalcone derivative: 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate

A. Abdul Ajees; Shubhalaxmi; B. S. Manjunatha; S. Madan Kumar; K. Byrappa; K. Subrahmanya Bhat

doi:10.1016/j.cdc.2017.03.004

Structural analysis of chalcone derivative: 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate

A. Abdul Ajees
, Shubhalaxmi
, B. S. Manjunatha
, S. Madan Kumar
, K. Byrappa
, K. Subrahmanya Bhat^*

^*Corresponding author for this work

Manipal Institute of Applied Physics (MIAP)

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

2 Citations (Scopus)

Abstract

The crystal structure of the title compound has been determined from X-ray diffraction studies. The compound crystallizes from methanol in the monoclinic system with space group P2₁/c with unit cell parameters: a = 10.647 (8), b = 8.494 (6), c = 16.743 (12) Å, β = 92.731 (13)°, Z = 4, V = 1512.4(19) Å³. The structure was determined by direct methods and refined to a final R-factor of 0.06. The two six-membered rings, A and B are planar with RMS deviation of fitted atoms is 0.0041 Å and the structure is stabilized by strong O–H.O, weak C–H…O, and C–H…F interactions.

Original language	English
Pages (from-to)	61-67
Number of pages	7
Journal	Chemical Data Collections
Volume	9-10
DOIs	https://doi.org/10.1016/j.cdc.2017.03.004
Publication status	Published - 01-08-2017

All Science Journal Classification (ASJC) codes

General Chemistry

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10.1016/j.cdc.2017.03.004

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@article{c8a62a217cc4423f9c51b37ac912aef0,

title = "Structural analysis of chalcone derivative: 2‐\{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy\}acetic acid hydrate",

abstract = "The crystal structure of the title compound has been determined from X-ray diffraction studies. The compound crystallizes from methanol in the monoclinic system with space group P21/c with unit cell parameters: a = 10.647 (8), b = 8.494 (6), c = 16.743 (12) {\AA}, β = 92.731 (13)°, Z = 4, V = 1512.4(19) {\AA}3. The structure was determined by direct methods and refined to a final R-factor of 0.06. The two six-membered rings, A and B are planar with RMS deviation of fitted atoms is 0.0041 {\AA} and the structure is stabilized by strong O–H.O, weak C–H…O, and C–H…F interactions.",

author = "Ajees, \{A. Abdul\} and Shubhalaxmi and Manjunatha, \{B. S.\} and Kumar, \{S. Madan\} and K. Byrappa and Bhat, \{K. Subrahmanya\}",

note = "Publisher Copyright: {\textcopyright} 2017",

year = "2017",

month = aug,

day = "1",

doi = "10.1016/j.cdc.2017.03.004",

language = "English",

volume = "9-10",

pages = "61--67",

journal = "Chemical Data Collections",

issn = "2405-8300",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Structural analysis of chalcone derivative

T2 - 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate

AU - Ajees, A. Abdul

AU - Shubhalaxmi,

AU - Manjunatha, B. S.

AU - Kumar, S. Madan

AU - Byrappa, K.

AU - Bhat, K. Subrahmanya

PY - 2017/8/1

Y1 - 2017/8/1

N2 - The crystal structure of the title compound has been determined from X-ray diffraction studies. The compound crystallizes from methanol in the monoclinic system with space group P21/c with unit cell parameters: a = 10.647 (8), b = 8.494 (6), c = 16.743 (12) Å, β = 92.731 (13)°, Z = 4, V = 1512.4(19) Å3. The structure was determined by direct methods and refined to a final R-factor of 0.06. The two six-membered rings, A and B are planar with RMS deviation of fitted atoms is 0.0041 Å and the structure is stabilized by strong O–H.O, weak C–H…O, and C–H…F interactions.

AB - The crystal structure of the title compound has been determined from X-ray diffraction studies. The compound crystallizes from methanol in the monoclinic system with space group P21/c with unit cell parameters: a = 10.647 (8), b = 8.494 (6), c = 16.743 (12) Å, β = 92.731 (13)°, Z = 4, V = 1512.4(19) Å3. The structure was determined by direct methods and refined to a final R-factor of 0.06. The two six-membered rings, A and B are planar with RMS deviation of fitted atoms is 0.0041 Å and the structure is stabilized by strong O–H.O, weak C–H…O, and C–H…F interactions.

UR - https://www.scopus.com/pages/publications/85016406796

UR - https://www.scopus.com/pages/publications/85016406796#tab=citedBy

U2 - 10.1016/j.cdc.2017.03.004

DO - 10.1016/j.cdc.2017.03.004

M3 - Article

AN - SCOPUS:85016406796

SN - 2405-8300

VL - 9-10

SP - 61

EP - 67

JO - Chemical Data Collections

JF - Chemical Data Collections

ER -

Structural analysis of chalcone derivative: 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate

Abstract

All Science Journal Classification (ASJC) codes

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