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

Research output: Contribution to journalArticle

1 Citation (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 languageEnglish
Pages (from-to)61-67
Number of pages7
JournalChemical Data Collections
Volume9-10
DOIs
Publication statusPublished - 01-08-2017

Fingerprint

R388
Chalcone
Hydrates
Structural analysis
Acetic Acid
Methanol
Crystal structure
Derivatives
X ray diffraction
Atoms

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

@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}",
year = "2017",
month = "8",
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 BV",

}

Structural analysis of chalcone derivative : 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate. / Ajees, A. Abdul; Shubhalaxmi; Manjunatha, B. S.; Kumar, S. Madan; Byrappa, K.; Bhat, K. Subrahmanya.

In: Chemical Data Collections, Vol. 9-10, 01.08.2017, p. 61-67.

Research output: Contribution to journalArticle

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 - http://www.scopus.com/inward/record.url?scp=85016406796&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85016406796&partnerID=8YFLogxK

U2 - 10.1016/j.cdc.2017.03.004

DO - 10.1016/j.cdc.2017.03.004

M3 - Article

AN - SCOPUS:85016406796

VL - 9-10

SP - 61

EP - 67

JO - Chemical Data Collections

JF - Chemical Data Collections

SN - 2405-8300

ER -