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

133 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

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10.1039/a801424h

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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",

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doi = "10.1039/a801424h",

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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 - https://www.scopus.com/pages/publications/0003102587

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

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