Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: A systematic database analysis

Frank H. Allen; Paul R. Raithby; Gregory P. Shields; Robin Taylor

doi:10.1039/a801424h

Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: A systematic database analysis

Frank H. Allen, Paul R. Raithby, Gregory P. Shields, Robin Taylor

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

130 Citations (SciVal)

Abstract

A database methodology has been developed to locate all possible occurrences of bimolecular cyclic hydrogen-bonded motifs in the Cambridge Structural Database and to calculate their probabilities of formation; the top 24 motifs involving D-H⋯A (D, A = N or O) are identified.

Original language	English
Pages (from-to)	1043-1044
Number of pages	2
Journal	Chemical Communications
Issue number	9
DOIs	https://doi.org/10.1039/a801424h
Publication status	Published - 7 May 1998

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
General Chemistry
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

Access to Document

10.1039/a801424h

Cite this

@article{3cc683ce02cb45f0a36636e59fc920e1,

title = "Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: A systematic database analysis",

abstract = "A database methodology has been developed to locate all possible occurrences of bimolecular cyclic hydrogen-bonded motifs in the Cambridge Structural Database and to calculate their probabilities of formation; the top 24 motifs involving D-H⋯A (D, A = N or O) are identified.",

author = "Allen, {Frank H.} and Raithby, {Paul R.} and Shields, {Gregory P.} and Robin Taylor",

year = "1998",

month = may,

day = "7",

doi = "10.1039/a801424h",

language = "English",

pages = "1043--1044",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "9",

}

TY - JOUR

T1 - Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures

T2 - A systematic database analysis

AU - Allen, Frank H.

AU - Raithby, Paul R.

AU - Shields, Gregory P.

AU - Taylor, Robin

PY - 1998/5/7

Y1 - 1998/5/7

N2 - A database methodology has been developed to locate all possible occurrences of bimolecular cyclic hydrogen-bonded motifs in the Cambridge Structural Database and to calculate their probabilities of formation; the top 24 motifs involving D-H⋯A (D, A = N or O) are identified.

AB - A database methodology has been developed to locate all possible occurrences of bimolecular cyclic hydrogen-bonded motifs in the Cambridge Structural Database and to calculate their probabilities of formation; the top 24 motifs involving D-H⋯A (D, A = N or O) are identified.

UR - http://www.scopus.com/inward/record.url?scp=0003102587&partnerID=8YFLogxK

U2 - 10.1039/a801424h

DO - 10.1039/a801424h

M3 - Article

AN - SCOPUS:0003102587

SN - 1359-7345

SP - 1043

EP - 1044

JO - Chemical Communications

JF - Chemical Communications

IS - 9

ER -

Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: A systematic database analysis

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this